1-[(1-benzylimidazol-2-yl)methyl]benzimidazole

C18H16N4 — CID 174431389

IUPAC1-[(1-benzylimidazol-2-yl)methyl]benzimidazole
SMILESc1ccc(Cn2ccnc2Cn2cnc3ccccc32)cc1
InChIInChI=1S/C18H16N4/c1-2-6-15(7-3-1)12-21-11-10-19-18(21)13-22-14-20-16-8-4-5-9-17(16)22/h1-11,14H,12-13H2
InChIKeyNJPSMOJCIRCPKN-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.33
Rot. Bonds4

About 1-[(1-benzylimidazol-2-yl)methyl]benzimidazole

1-[(1-benzylimidazol-2-yl)methyl]benzimidazole (PubChem CID 174431389) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(1-benzylimidazol-2-yl)methyl]benzimidazole.

Molecular Properties

Compound Name1-[(1-benzylimidazol-2-yl)methyl]benzimidazole
PubChem CID174431389
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name1-[(1-benzylimidazol-2-yl)methyl]benzimidazole
SMILESc1ccc(Cn2ccnc2Cn2cnc3ccccc32)cc1
InChIInChI=1S/C18H16N4/c1-2-6-15(7-3-1)12-21-11-10-19-18(21)13-22-14-20-16-8-4-5-9-17(16)22/h1-11,14H,12-13H2
InChIKeyNJPSMOJCIRCPKN-UHFFFAOYSA-N
XLogP3.33
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]benzimidazole
CID 113223335
1-[(3,5-dichlorophenyl)methyl]benzimidazole
CID 150699532
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
1-[(3-phenylphenyl)methyl]benzimidazole
CID 53320325
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
3-benzylimidazo[4,5-b]pyridine
CID 11009167
[4-(benzimidazol-1-ylmethyl)phenoxy]-phenylborinic acid
CID 166027355
1-(2-phenylethyl)benzimidazole;hydrochloride
CID 54604941
1-benzyl-5-methylbenzimidazole
CID 12620837
2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole
CID 659092
3-(1-benzylimidazol-2-yl)propanal
CID 18349572
N'-[(1-benzylimidazol-2-yl)methyl]-N-[2-[(1-benzylimidazol-2-yl)methylamino]ethyl]ethane-1,2-diamine
CID 57206578

Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]benzimidazole?
The IUPAC name of 1-[(1-benzylimidazol-2-yl)methyl]benzimidazole (CID 174431389) is 1-[(1-benzylimidazol-2-yl)methyl]benzimidazole.
What is the SMILES notation for 1-[(1-benzylimidazol-2-yl)methyl]benzimidazole?
The canonical SMILES for 1-[(1-benzylimidazol-2-yl)methyl]benzimidazole is c1ccc(Cn2ccnc2Cn2cnc3ccccc32)cc1.
What is the InChIKey of 1-[(1-benzylimidazol-2-yl)methyl]benzimidazole?
The InChIKey is NJPSMOJCIRCPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-2-6-15(7-3-1)12-21-11-10-19-18(21)13-22-14-20-16-8-4-5-9-17(16)22/h1-11,14H,12-13H2.
What are the key properties of 1-[(1-benzylimidazol-2-yl)methyl]benzimidazole?
1-[(1-benzylimidazol-2-yl)methyl]benzimidazole has a molecular weight of 288.35 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzylimidazol-2-yl)methyl]benzimidazole is sourced from PubChem (CID 174431389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).