6-[3-methyl-5-(1-phenylbenzimidazol-2-yl)phenyl]quinoline

C29H21N3 — CID 144553961

IUPAC6-[3-methyl-5-(1-phenylbenzimidazol-2-yl)phenyl]quinoline
SMILESCc1cc(-c2ccc3ncccc3c2)cc(-c2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C29H21N3/c1-20-16-23(21-13-14-26-22(18-21)8-7-15-30-26)19-24(17-20)29-31-27-11-5-6-12-28(27)32(29)25-9-3-2-4-10-25/h2-19H,1H3
InChIKeySOSNDXOCHGSKBL-UHFFFAOYSA-N
MW411.51 g/mol
LogP7.22
Rot. Bonds3

About 6-[3-methyl-5-(1-phenylbenzimidazol-2-yl)phenyl]quinoline

6-[3-methyl-5-(1-phenylbenzimidazol-2-yl)phenyl]quinoline (PubChem CID 144553961) has the molecular formula C29H21N3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 6-[3-methyl-5-(1-phenylbenzimidazol-2-yl)phenyl]quinoline.

Molecular Properties

Compound Name6-[3-methyl-5-(1-phenylbenzimidazol-2-yl)phenyl]quinoline
PubChem CID144553961
Molecular FormulaC29H21N3
Molecular Weight411.51 g/mol
Exact Mass411.17
IUPAC Name6-[3-methyl-5-(1-phenylbenzimidazol-2-yl)phenyl]quinoline
SMILESCc1cc(-c2ccc3ncccc3c2)cc(-c2nc3ccccc3n2-c2ccccc2)c1
InChIInChI=1S/C29H21N3/c1-20-16-23(21-13-14-26-22(18-21)8-7-15-30-26)19-24(17-20)29-31-27-11-5-6-12-28(27)32(29)25-9-3-2-4-10-25/h2-19H,1H3
InChIKeySOSNDXOCHGSKBL-UHFFFAOYSA-N
XLogP7.22
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[3-(1-phenylbenzimidazol-2-yl)-5-(4-pyridin-2-ylphenyl)phenyl]phenyl]carbazole
CID 58500911
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
9-[4-[3,5-bis(1-phenylbenzimidazol-2-yl)phenyl]phenyl]carbazole
CID 58500868
6-[4-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 155792535
6-[3-[3-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]benzo[h]quinoline
CID 146976715
6-(3-methylphenyl)quinoline
CID 4185278
CID 89196743
CID 89196743
2-[3-[3-(10-naphthalen-2-ylanthracen-9-yl)phenyl]phenyl]-1-phenylbenzimidazole
CID 166509976
7-[3-(1-phenylbenzimidazol-2-yl)phenyl]-2-(2-pyridin-2-ylquinolin-7-yl)quinoline
CID 164779348
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
2-[4-[10-[6-[10-(4-methylphenyl)anthracen-9-yl]naphthalen-2-yl]anthracen-9-yl]phenyl]-1-phenylbenzimidazole
CID 58894895
2-[4-[9-(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-phenylbenzimidazole
CID 167136922

Frequently Asked Questions

What is the IUPAC name of 6-[3-methyl-5-(1-phenylbenzimidazol-2-yl)phenyl]quinoline?
The IUPAC name of 6-[3-methyl-5-(1-phenylbenzimidazol-2-yl)phenyl]quinoline (CID 144553961) is 6-[3-methyl-5-(1-phenylbenzimidazol-2-yl)phenyl]quinoline.
What is the SMILES notation for 6-[3-methyl-5-(1-phenylbenzimidazol-2-yl)phenyl]quinoline?
The canonical SMILES for 6-[3-methyl-5-(1-phenylbenzimidazol-2-yl)phenyl]quinoline is Cc1cc(-c2ccc3ncccc3c2)cc(-c2nc3ccccc3n2-c2ccccc2)c1.
What is the InChIKey of 6-[3-methyl-5-(1-phenylbenzimidazol-2-yl)phenyl]quinoline?
The InChIKey is SOSNDXOCHGSKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3/c1-20-16-23(21-13-14-26-22(18-21)8-7-15-30-26)19-24(17-20)29-31-27-11-5-6-12-28(27)32(29)25-9-3-2-4-10-25/h2-19H,1H3.
What are the key properties of 6-[3-methyl-5-(1-phenylbenzimidazol-2-yl)phenyl]quinoline?
6-[3-methyl-5-(1-phenylbenzimidazol-2-yl)phenyl]quinoline has a molecular weight of 411.51 g/mol, XLogP of 7.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-methyl-5-(1-phenylbenzimidazol-2-yl)phenyl]quinoline is sourced from PubChem (CID 144553961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).