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Chemical ID: 4194233

Chemical ID:

4194233

Name [?]:

2-[(2-morpholino-1-cyclopent-2-enylidene)methyl]-1H-benzoimidazole

SMILES [?]:

c1ccc2c(c1)[nH]c(n2)C=C3CCC=C3N4CCOCC4

InChi [?]:

InChI=1/C17H19N3O/c1-2-6-15-14(5-1)18-17(19-15)12-13-4-3-7-16(13)20-8-10-21-11-9-20/h1-2,5-7,12H,3-4,8-11H2,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,2,13,12,6,3,14,17,21,18,20,10,11,5,4,15,8,7,9,16,19/E:(1,2)(5,6)(8,9)(10,11)(14,15)(18,19)/rA:21nCCCCCCNCNCCCCCCNCCOCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;w10;s11;s12;s13;s11d14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₉N₃O
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.96863
Area:	476.259
Solvation:	-2.93784
Coulombic:	-32.0477

Bond Count [?]

All:	24
Single:	18
Double:	6
Rotors:	2
Chiral:	1
Rigid Segments:	3

Chemical Properties

Molecular Weight:	281.352
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	2.16
LogP (Chemaxon):	2.38

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value