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Chemical ID: 7125351

Chemical ID:

7125351

Name [?]:

1-[(4-isopropylphenyl)methyl]-2-(methoxymethyl)-3H-benzoimidazole

SMILES [?]:

CC(C)c1ccc(cc1)Cn2c3ccccc3[nH+]c2COC

InChi [?]:

InChI=1/C19H22N2O/c1-14(2)16-10-8-15(9-11-16)12-21-18-7-5-4-6-17(18)20-19(21)13-22-3/h4-11,14H,12-13H2,1-3H3/p+1

InChi Info:

AuxInfo=1/1/N:1,3,22,15,14,16,13,6,8,5,9,10,20,2,7,4,17,12,19,18,11,21/E:(1,2)(8,9)(10,11)/rA:22nCCCCCCCCCCNCCCCCCN+CCOC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;s12;d13;s14;d15;d12s16;s17;s11d18;s19;s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₉H₂₃N₂O+
All Atoms:	45
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	-15.8903
Area:	508.067
Solvation:	-28.592
Coulombic:	-18.1879

Bond Count [?]

All:	24
Single:	17
Double:	7
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	295.399
H-Bond Donors:	0
H-Bond Acceptors:	1
XLogP:	4.61
LogP (Chemaxon):	4.77

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