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Chemical ID: 4274295

Chemical ID:

4274295

Name [?]:

2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-1H-benzoimidazole

SMILES [?]:

c1ccc(cc1)CN2CCC(=CC2)c3[nH]c4ccccc4n3

InChi [?]:

InChI=1/C19H19N3/c1-2-6-15(7-3-1)14-22-12-10-16(11-13-22)19-20-17-8-4-5-9-18(17)21-19/h1-10H,11-14H2,(H,20,21)

InChi Info:

AuxInfo=1/1/N:1,2,6,18,19,3,5,17,20,12,10,13,9,7,4,11,16,21,14,15,22,8/E:(2,3)(4,5)(6,7)(8,9)(17,18)(20,21)/rA:22cCCCCCCCNCCCCCCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;d14s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₁₉N₃
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	1

ZAP Information [?]

Total:	10.22
Area:	497.151
Solvation:	-2.20877
Coulombic:	-24.3777

Bond Count [?]

All:	25
Single:	17
Double:	8
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	289.374
H-Bond Donors:	0
H-Bond Acceptors:	1
XLogP:	3.16
LogP (Chemaxon):	3.92

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value