9-[2-chloro-5-methyl-3-(2-methylbenzimidazol-1-yl)phenyl]carbazole

C27H20ClN3 — CID 162427993

IUPAC9-[2-chloro-5-methyl-3-(2-methylbenzimidazol-1-yl)phenyl]carbazole
SMILESCc1cc(-n2c(C)nc3ccccc32)c(Cl)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C27H20ClN3/c1-17-15-25(30-18(2)29-21-11-5-8-14-24(21)30)27(28)26(16-17)31-22-12-6-3-9-19(22)20-10-4-7-13-23(20)31/h3-16H,1-2H3
InChIKeyNCAURIDPMFVYFD-UHFFFAOYSA-N
MW421.93 g/mol
LogP7.39
Rot. Bonds2

About 9-[2-chloro-5-methyl-3-(2-methylbenzimidazol-1-yl)phenyl]carbazole

9-[2-chloro-5-methyl-3-(2-methylbenzimidazol-1-yl)phenyl]carbazole (PubChem CID 162427993) has the molecular formula C27H20ClN3 and a molecular weight of 421.93 g/mol. Its IUPAC name is 9-[2-chloro-5-methyl-3-(2-methylbenzimidazol-1-yl)phenyl]carbazole.

Molecular Properties

Compound Name9-[2-chloro-5-methyl-3-(2-methylbenzimidazol-1-yl)phenyl]carbazole
PubChem CID162427993
Molecular FormulaC27H20ClN3
Molecular Weight421.93 g/mol
Exact Mass421.13
IUPAC Name9-[2-chloro-5-methyl-3-(2-methylbenzimidazol-1-yl)phenyl]carbazole
SMILESCc1cc(-n2c(C)nc3ccccc32)c(Cl)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C27H20ClN3/c1-17-15-25(30-18(2)29-21-11-5-8-14-24(21)30)27(28)26(16-17)31-22-12-6-3-9-19(22)20-10-4-7-13-23(20)31/h3-16H,1-2H3
InChIKeyNCAURIDPMFVYFD-UHFFFAOYSA-N
XLogP7.39
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.93
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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3-methyl-4-(2-methylbenzimidazol-1-yl)aniline
CID 82513326
1-[2-(10-fluoranthen-3-ylanthracen-9-yl)phenyl]-2-methylbenzimidazole
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1-[2-(9,10-diphenylanthracen-2-yl)phenyl]-2-methylbenzimidazole
CID 170235690
9-[4,6-bis(3-methylcarbazol-9-yl)-1,3,5-triazin-2-yl]-3-methylcarbazole
CID 155367112
9-(5-carbazol-9-yl-3,6-dimethyl-2-pyridinyl)carbazole
CID 170652172
1-[4,6-bis(methylsulfanyl)-1,3,5-triazin-2-yl]-2-methylbenzimidazole
CID 22507050
3-(2-chloro-3-methylphenyl)-2-methylquinazolin-4-one
CID 3031678
1-(2-chloropyrimidin-4-yl)-2-methylbenzimidazole
CID 58979572
1-[2-(2-methylbenzimidazol-1-yl)phenyl]ethanamine
CID 43823548

Frequently Asked Questions

What is the IUPAC name of 9-[2-chloro-5-methyl-3-(2-methylbenzimidazol-1-yl)phenyl]carbazole?
The IUPAC name of 9-[2-chloro-5-methyl-3-(2-methylbenzimidazol-1-yl)phenyl]carbazole (CID 162427993) is 9-[2-chloro-5-methyl-3-(2-methylbenzimidazol-1-yl)phenyl]carbazole.
What is the SMILES notation for 9-[2-chloro-5-methyl-3-(2-methylbenzimidazol-1-yl)phenyl]carbazole?
The canonical SMILES for 9-[2-chloro-5-methyl-3-(2-methylbenzimidazol-1-yl)phenyl]carbazole is Cc1cc(-n2c(C)nc3ccccc32)c(Cl)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[2-chloro-5-methyl-3-(2-methylbenzimidazol-1-yl)phenyl]carbazole?
The InChIKey is NCAURIDPMFVYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3/c1-17-15-25(30-18(2)29-21-11-5-8-14-24(21)30)27(28)26(16-17)31-22-12-6-3-9-19(22)20-10-4-7-13-23(20)31/h3-16H,1-2H3.
What are the key properties of 9-[2-chloro-5-methyl-3-(2-methylbenzimidazol-1-yl)phenyl]carbazole?
9-[2-chloro-5-methyl-3-(2-methylbenzimidazol-1-yl)phenyl]carbazole has a molecular weight of 421.93 g/mol, XLogP of 7.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-chloro-5-methyl-3-(2-methylbenzimidazol-1-yl)phenyl]carbazole is sourced from PubChem (CID 162427993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).