2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole

C30H22N2 — CID 135245229

IUPAC2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole
SMILESCc1c(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)ccc2ccccc12
InChIInChI=1S/C30H22N2/c1-21-26-12-6-5-9-22(26)19-20-27(21)23-15-17-24(18-16-23)30-31-28-13-7-8-14-29(28)32(30)25-10-3-2-4-11-25/h2-20H,1H3
InChIKeyOVIRYVGHICYFQO-UHFFFAOYSA-N
MW410.52 g/mol
LogP7.82
Rot. Bonds3

About 2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole

2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole (PubChem CID 135245229) has the molecular formula C30H22N2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole.

Molecular Properties

Compound Name2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole
PubChem CID135245229
Molecular FormulaC30H22N2
Molecular Weight410.52 g/mol
Exact Mass410.18
IUPAC Name2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole
SMILESCc1c(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)ccc2ccccc12
InChIInChI=1S/C30H22N2/c1-21-26-12-6-5-9-22(26)19-20-27(21)23-15-17-24(18-16-23)30-31-28-13-7-8-14-29(28)32(30)25-10-3-2-4-11-25/h2-20H,1H3
InChIKeyOVIRYVGHICYFQO-UHFFFAOYSA-N
XLogP7.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1,2-bis(4-naphthalen-1-ylphenyl)benzimidazole
CID 58106321
2-[4-(10-methylphenanthren-9-yl)phenyl]-1-phenylbenzimidazole
CID 166656592
2-(4-benzo[a]anthracen-4-ylphenyl)-1-phenylbenzimidazole
CID 59412563
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
2-benzo[c]phenanthren-2-yl-1-phenylbenzimidazole
CID 58526346
5,8-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]quinoxaline
CID 138705119
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071
N,N-diphenyl-3-[2-[4-(1-phenylbenzimidazol-2-yl)phenyl]naphthalen-1-yl]aniline
CID 174262436
3-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]quinazolin-4-one
CID 121247662
1,2-diphenylbenzimidazole;ethane;iridium;propane
CID 142394497

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole?
The IUPAC name of 2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole (CID 135245229) is 2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole.
What is the SMILES notation for 2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole?
The canonical SMILES for 2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole is Cc1c(-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)ccc2ccccc12.
What is the InChIKey of 2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole?
The InChIKey is OVIRYVGHICYFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22N2/c1-21-26-12-6-5-9-22(26)19-20-27(21)23-15-17-24(18-16-23)30-31-28-13-7-8-14-29(28)32(30)25-10-3-2-4-11-25/h2-20H,1H3.
What are the key properties of 2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole?
2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole has a molecular weight of 410.52 g/mol, XLogP of 7.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methylnaphthalen-2-yl)phenyl]-1-phenylbenzimidazole is sourced from PubChem (CID 135245229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).