1-benzyl-5-(furan-2-yl)-2-methylbenzimidazole

C19H16N2O — CID 168525844

IUPAC1-benzyl-5-(furan-2-yl)-2-methylbenzimidazole
SMILESCc1nc2cc(-c3ccco3)ccc2n1Cc1ccccc1
InChIInChI=1S/C19H16N2O/c1-14-20-17-12-16(19-8-5-11-22-19)9-10-18(17)21(14)13-15-6-3-2-4-7-15/h2-12H,13H2,1H3
InChIKeyWZKDDQAVQQBWJP-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.65
Rot. Bonds3

About 1-benzyl-5-(furan-2-yl)-2-methylbenzimidazole

1-benzyl-5-(furan-2-yl)-2-methylbenzimidazole (PubChem CID 168525844) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-benzyl-5-(furan-2-yl)-2-methylbenzimidazole.

Molecular Properties

Compound Name1-benzyl-5-(furan-2-yl)-2-methylbenzimidazole
PubChem CID168525844
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name1-benzyl-5-(furan-2-yl)-2-methylbenzimidazole
SMILESCc1nc2cc(-c3ccco3)ccc2n1Cc1ccccc1
InChIInChI=1S/C19H16N2O/c1-14-20-17-12-16(19-8-5-11-22-19)9-10-18(17)21(14)13-15-6-3-2-4-7-15/h2-12H,13H2,1H3
InChIKeyWZKDDQAVQQBWJP-UHFFFAOYSA-N
XLogP4.65
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-5-(furan-2-yl)-2-methylbenzimidazole
CID 168526896
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
CID 12620886
1-ethyl-2-methyl-5-phenylbenzimidazole
CID 746920
methyl 1-benzyl-2-methylbenzimidazole-5-carboxylate
CID 1070610
1-[(4-chlorophenyl)methyl]-5-(furan-2-yl)-2-[(E)-2-(1-methylpyrrolidin-3-yl)ethenyl]benzimidazole
CID 70852940
1-[(1-benzyl-2-methylbenzimidazol-5-yl)amino]-3-chloropropan-2-ol
CID 168637879
5-(furan-2-yl)-1-methylbenzotriazole
CID 168525527
4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylbenzimidazol-1-yl]methyl]phenol
CID 90667393
1-[(3-chlorophenyl)methyl]-2-methylbenzimidazol-5-amine
CID 62533806
2-[5-chloro-2-(furan-2-yl)benzimidazol-1-yl]ethanol
CID 46308220
N-(1-benzyl-2-methylbenzimidazol-5-yl)-1-thiophen-2-ylmethanimine
CID 939834

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(furan-2-yl)-2-methylbenzimidazole?
The IUPAC name of 1-benzyl-5-(furan-2-yl)-2-methylbenzimidazole (CID 168525844) is 1-benzyl-5-(furan-2-yl)-2-methylbenzimidazole.
What is the SMILES notation for 1-benzyl-5-(furan-2-yl)-2-methylbenzimidazole?
The canonical SMILES for 1-benzyl-5-(furan-2-yl)-2-methylbenzimidazole is Cc1nc2cc(-c3ccco3)ccc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(furan-2-yl)-2-methylbenzimidazole?
The InChIKey is WZKDDQAVQQBWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-14-20-17-12-16(19-8-5-11-22-19)9-10-18(17)21(14)13-15-6-3-2-4-7-15/h2-12H,13H2,1H3.
What are the key properties of 1-benzyl-5-(furan-2-yl)-2-methylbenzimidazole?
1-benzyl-5-(furan-2-yl)-2-methylbenzimidazole has a molecular weight of 288.35 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(furan-2-yl)-2-methylbenzimidazole is sourced from PubChem (CID 168525844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).