6-chloro-1-(2-methylphenyl)benzimidazol-2-amine

C14H12ClN3 — CID 115470391

IUPAC6-chloro-1-(2-methylphenyl)benzimidazol-2-amine
SMILESCc1ccccc1-n1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C14H12ClN3/c1-9-4-2-3-5-12(9)18-13-8-10(15)6-7-11(13)17-14(18)16/h2-8H,1H3,(H2,16,17)
InChIKeyRCVQTDFYQPYVBT-UHFFFAOYSA-N
MW257.72 g/mol
LogP3.57
Rot. Bonds1

About 6-chloro-1-(2-methylphenyl)benzimidazol-2-amine

6-chloro-1-(2-methylphenyl)benzimidazol-2-amine (PubChem CID 115470391) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 6-chloro-1-(2-methylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-(2-methylphenyl)benzimidazol-2-amine
PubChem CID115470391
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name6-chloro-1-(2-methylphenyl)benzimidazol-2-amine
SMILESCc1ccccc1-n1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C14H12ClN3/c1-9-4-2-3-5-12(9)18-13-8-10(15)6-7-11(13)17-14(18)16/h2-8H,1H3,(H2,16,17)
InChIKeyRCVQTDFYQPYVBT-UHFFFAOYSA-N
XLogP3.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
CID 82820117
5-methyl-1-(2-methylphenyl)benzimidazol-2-amine
CID 43661880
2-amino-1-(2-methylphenyl)benzimidazol-5-ol
CID 84799586
6-chloro-1-(2,5-dibromophenyl)benzimidazol-2-amine
CID 115470480
6-chloro-1-(2,3,5-trifluorophenyl)benzimidazol-2-amine
CID 115470604
6-chloro-1-(2,4-dimethoxyphenyl)benzimidazol-2-amine
CID 115470423
6-chloro-1-[1-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 115470510
6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 115470387
6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 115470703
5-methyl-3-(2-methylphenyl)imidazo[4,5-b]pyridin-2-amine
CID 81138231
1-(2-bromophenyl)-5-chlorobenzimidazol-2-amine
CID 43659474
5-bromo-1-(5-chloro-2-methylphenyl)benzimidazol-2-amine
CID 43661666

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(2-methylphenyl)benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-(2-methylphenyl)benzimidazol-2-amine (CID 115470391) is 6-chloro-1-(2-methylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-(2-methylphenyl)benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-(2-methylphenyl)benzimidazol-2-amine is Cc1ccccc1-n1c(N)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-(2-methylphenyl)benzimidazol-2-amine?
The InChIKey is RCVQTDFYQPYVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-9-4-2-3-5-12(9)18-13-8-10(15)6-7-11(13)17-14(18)16/h2-8H,1H3,(H2,16,17).
What are the key properties of 6-chloro-1-(2-methylphenyl)benzimidazol-2-amine?
6-chloro-1-(2-methylphenyl)benzimidazol-2-amine has a molecular weight of 257.72 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(2-methylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 115470391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).