(5-methyl-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone

C25H18N2O — CID 155598873

IUPAC(5-methyl-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
SMILESCc1ccc2c(c1)nc(-c1ccccc1)n2C(=O)c1cccc2ccccc12
InChIInChI=1S/C25H18N2O/c1-17-14-15-23-22(16-17)26-24(19-9-3-2-4-10-19)27(23)25(28)21-13-7-11-18-8-5-6-12-20(18)21/h2-16H,1H3
InChIKeyKWBPLVSZWIJKKG-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.85
Rot. Bonds2

About (5-methyl-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone

(5-methyl-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone (PubChem CID 155598873) has the molecular formula C25H18N2O and a molecular weight of 362.43 g/mol. Its IUPAC name is (5-methyl-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone.

Molecular Properties

Compound Name(5-methyl-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
PubChem CID155598873
Molecular FormulaC25H18N2O
Molecular Weight362.43 g/mol
Exact Mass362.14
IUPAC Name(5-methyl-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
SMILESCc1ccc2c(c1)nc(-c1ccccc1)n2C(=O)c1cccc2ccccc12
InChIInChI=1S/C25H18N2O/c1-17-14-15-23-22(16-17)26-24(19-9-3-2-4-10-19)27(23)25(28)21-13-7-11-18-8-5-6-12-20(18)21/h2-16H,1H3
InChIKeyKWBPLVSZWIJKKG-UHFFFAOYSA-N
XLogP5.85
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
CID 164941875
5-methyl-1,2-diphenylbenzimidazole
CID 45104351
(1E,3Z)-1-(5-methyl-2-phenylbenzimidazol-1-yl)hexa-1,3,5-trien-1-amine
CID 89086835
5-methyl-2-phenyl-1-propylbenzimidazole
CID 72721451
(5-methoxy-2-naphthalen-1-ylbenzimidazol-1-yl)-phenylmethanone
CID 155598914
(2-ethylsulfanylbenzimidazol-1-yl)-naphthalen-1-ylmethanone
CID 880169
1-tert-butyl-5-methyl-2-phenylbenzimidazole
CID 151472435
5-methyl-2-phenyl-1-pyridin-4-ylbenzimidazole
CID 59593987
(5-chloro-2-naphthalen-1-ylbenzimidazol-1-yl)-(2,4-difluorophenyl)methanone
CID 155599040
(2,5-dimethylphenyl)-naphthalen-1-ylmethanone
CID 43337274
1-benzyl-5-methyl-2-(4-methylphenyl)benzimidazole
CID 12620886
2-[2-(3-methylphenyl)-5-propanoylbenzimidazol-1-yl]acetic acid
CID 94743154

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone?
The IUPAC name of (5-methyl-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone (CID 155598873) is (5-methyl-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone.
What is the SMILES notation for (5-methyl-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone?
The canonical SMILES for (5-methyl-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone is Cc1ccc2c(c1)nc(-c1ccccc1)n2C(=O)c1cccc2ccccc12.
What is the InChIKey of (5-methyl-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone?
The InChIKey is KWBPLVSZWIJKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2O/c1-17-14-15-23-22(16-17)26-24(19-9-3-2-4-10-19)27(23)25(28)21-13-7-11-18-8-5-6-12-20(18)21/h2-16H,1H3.
What are the key properties of (5-methyl-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone?
(5-methyl-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone has a molecular weight of 362.43 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenylbenzimidazol-1-yl)-naphthalen-1-ylmethanone is sourced from PubChem (CID 155598873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).