1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole

C31H22N4 — CID 140934482

IUPAC1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole
SMILESCn1c(-c2cccc3c2[nH]c2ccccc23)nc2c(-c3cccc(-c4ccccn4)c3)cccc21
InChIInChI=1S/C31H22N4/c1-35-28-17-8-12-22(20-9-6-10-21(19-20)26-15-4-5-18-32-26)30(28)34-31(35)25-14-7-13-24-23-11-2-3-16-27(23)33-29(24)25/h2-19,33H,1H3
InChIKeyHGNBOOXFDZEOOI-UHFFFAOYSA-N
MW450.55 g/mol
LogP7.60
Rot. Bonds3

About 1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole

1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole (PubChem CID 140934482) has the molecular formula C31H22N4 and a molecular weight of 450.55 g/mol. Its IUPAC name is 1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole.

Molecular Properties

Compound Name1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole
PubChem CID140934482
Molecular FormulaC31H22N4
Molecular Weight450.55 g/mol
Exact Mass450.18
IUPAC Name1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole
SMILESCn1c(-c2cccc3c2[nH]c2ccccc23)nc2c(-c3cccc(-c4ccccn4)c3)cccc21
InChIInChI=1S/C31H22N4/c1-35-28-17-8-12-22(20-9-6-10-21(19-20)26-15-4-5-18-32-26)30(28)34-31(35)25-14-7-13-24-23-11-2-3-16-27(23)33-29(24)25/h2-19,33H,1H3
InChIKeyHGNBOOXFDZEOOI-UHFFFAOYSA-N
XLogP7.60
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.55
LogP ≤ 57.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-methylbenzimidazol-2-yl]-9H-carbazole
CID 140934236
3-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one
CID 140865510
1-[1-phenyl-4-(3-pyridin-2-ylnaphthalen-1-yl)benzimidazol-2-yl]-9H-carbazole
CID 140934222
4-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]pyridin-3-ol
CID 140864357
3-[1-methyl-4-(3-phenyl-5-pyridin-2-ylphenyl)benzimidazol-2-yl]-1H-pyridin-4-one
CID 140865677
1-[1-naphthalen-1-yl-4-(4-pyridin-2-ylnaphthalen-2-yl)benzimidazol-2-yl]-9H-carbazole
CID 140934480
3-tert-butyl-1-[4-[3-(4-tert-butyl-2-pyridinyl)phenyl]-1-phenylbenzimidazol-2-yl]-9H-carbazole
CID 140934417
2-[1-methyl-4-(3-pyridin-2-ylphenyl)imidazo[4,5-c]pyridin-2-yl]phenol
CID 137305162
1-[3-[1-tert-butyl-2-(9H-carbazol-1-yl)benzimidazol-4-yl]phenyl]-[1]benzofuro[2,3-c]pyridine
CID 140934381
1-[1-tert-butyl-4-[4-(4-phenyl-2-pyridinyl)naphthalen-2-yl]benzimidazol-2-yl]-9H-carbazole
CID 140934353
2-[3-methyl-7-(3-pyridin-2-ylphenyl)imidazo[4,5-b]pyridin-2-yl]phenol
CID 140865477
2-[2-(9H-carbazol-1-yl)-1-(3-methylphenyl)benzimidazol-4-yl]-9-pyridin-2-ylcarbazole
CID 176643522

Frequently Asked Questions

What is the IUPAC name of 1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole?
The IUPAC name of 1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole (CID 140934482) is 1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole.
What is the SMILES notation for 1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole?
The canonical SMILES for 1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole is Cn1c(-c2cccc3c2[nH]c2ccccc23)nc2c(-c3cccc(-c4ccccn4)c3)cccc21.
What is the InChIKey of 1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole?
The InChIKey is HGNBOOXFDZEOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N4/c1-35-28-17-8-12-22(20-9-6-10-21(19-20)26-15-4-5-18-32-26)30(28)34-31(35)25-14-7-13-24-23-11-2-3-16-27(23)33-29(24)25/h2-19,33H,1H3.
What are the key properties of 1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole?
1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole has a molecular weight of 450.55 g/mol, XLogP of 7.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methyl-4-(3-pyridin-2-ylphenyl)benzimidazol-2-yl]-9H-carbazole is sourced from PubChem (CID 140934482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).