3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole

C22H19N3O — CID 168554394

IUPAC3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole
SMILESCOc1ccc2[nH]c3c(C)cc(-c4nc5ccccc5[nH]4)c(C)c3c2c1
InChIInChI=1S/C22H19N3O/c1-12-10-15(22-24-18-6-4-5-7-19(18)25-22)13(2)20-16-11-14(26-3)8-9-17(16)23-21(12)20/h4-11,23H,1-3H3,(H,24,25)
InChIKeyNYZGXMRPYQFKSN-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.49
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole

3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole (PubChem CID 168554394) has the molecular formula C22H19N3O and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole
PubChem CID168554394
Molecular FormulaC22H19N3O
Molecular Weight341.41 g/mol
Exact Mass341.15
IUPAC Name3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole
SMILESCOc1ccc2[nH]c3c(C)cc(-c4nc5ccccc5[nH]4)c(C)c3c2c1
InChIInChI=1S/C22H19N3O/c1-12-10-15(22-24-18-6-4-5-7-19(18)25-22)13(2)20-16-11-14(26-3)8-9-17(16)23-21(12)20/h4-11,23H,1-3H3,(H,24,25)
InChIKeyNYZGXMRPYQFKSN-UHFFFAOYSA-N
XLogP5.49
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422
2-(1H-benzimidazol-2-yl)-4-methoxyphenol
CID 135463022
N-(6-methoxy-1,4-dimethyl-9H-carbazol-3-yl)-N-oxidohydroxylamine
CID 21142512
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
2-[2-(4-methoxyphenyl)-1H-indol-3-yl]-1H-benzimidazole
CID 2437616
N-hydroxy-6-methoxy-1,4-dimethyl-9H-carbazol-3-amine oxide
CID 21142511
2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole
CID 65017877
2-[2-(1H-benzimidazol-2-yl)-5-[4-(1H-benzimidazol-2-yl)-3-(6-methoxy-1H-benzimidazol-2-yl)phenoxy]phenyl]-6-methyl-1H-benzimidazole
CID 59762586
6-methoxy-2-naphthalen-1-yl-1H-benzimidazole
CID 65017512
2-(4-chloro-2,5-dimethylphenyl)-1H-benzimidazole
CID 168554186
2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole
CID 22475730
4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline
CID 168555273

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole (CID 168554394) is 3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole is COc1ccc2[nH]c3c(C)cc(-c4nc5ccccc5[nH]4)c(C)c3c2c1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole?
The InChIKey is NYZGXMRPYQFKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O/c1-12-10-15(22-24-18-6-4-5-7-19(18)25-22)13(2)20-16-11-14(26-3)8-9-17(16)23-21(12)20/h4-11,23H,1-3H3,(H,24,25).
What are the key properties of 3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole?
3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole has a molecular weight of 341.41 g/mol, XLogP of 5.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-6-methoxy-1,4-dimethyl-9H-carbazole is sourced from PubChem (CID 168554394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).