6-chloro-1-[1-(2-methylphenyl)ethyl]benzimidazol-2-amine

C16H16ClN3 — CID 115470510

IUPAC6-chloro-1-[1-(2-methylphenyl)ethyl]benzimidazol-2-amine
SMILESCc1ccccc1C(C)n1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C16H16ClN3/c1-10-5-3-4-6-13(10)11(2)20-15-9-12(17)7-8-14(15)19-16(20)18/h3-9,11H,1-2H3,(H2,18,19)
InChIKeyMYRLHCISIOVZFF-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.19
Rot. Bonds2

About 6-chloro-1-[1-(2-methylphenyl)ethyl]benzimidazol-2-amine

6-chloro-1-[1-(2-methylphenyl)ethyl]benzimidazol-2-amine (PubChem CID 115470510) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 6-chloro-1-[1-(2-methylphenyl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-1-[1-(2-methylphenyl)ethyl]benzimidazol-2-amine
PubChem CID115470510
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name6-chloro-1-[1-(2-methylphenyl)ethyl]benzimidazol-2-amine
SMILESCc1ccccc1C(C)n1c(N)nc2ccc(Cl)cc21
InChIInChI=1S/C16H16ClN3/c1-10-5-3-4-6-13(10)11(2)20-15-9-12(17)7-8-14(15)19-16(20)18/h3-9,11H,1-2H3,(H2,18,19)
InChIKeyMYRLHCISIOVZFF-UHFFFAOYSA-N
XLogP4.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-(chloromethyl)-1-[1-(2-methylphenyl)ethyl]benzimidazole
CID 115471272
6-chloro-1-(2-methylphenyl)benzimidazol-2-amine
CID 115470391
6-chloro-1-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 115470575
6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 113316215
6-methyl-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 79301690
2-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-methylaniline
CID 115472973
1-[1-(2-chlorophenyl)ethyl]-7-methylbenzimidazol-2-amine
CID 115552367
6-bromo-3-[1-(2-methylphenyl)ethyl]imidazo[4,5-b]pyridin-2-amine
CID 79306425
5,6-dimethyl-1-(1-phenylethyl)benzimidazol-2-amine
CID 82359041
6-chloro-1-(dicyclopropylmethyl)benzimidazol-2-amine
CID 113316180
6-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 115470703
1-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 46310660

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-[1-(2-methylphenyl)ethyl]benzimidazol-2-amine?
The IUPAC name of 6-chloro-1-[1-(2-methylphenyl)ethyl]benzimidazol-2-amine (CID 115470510) is 6-chloro-1-[1-(2-methylphenyl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-1-[1-(2-methylphenyl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 6-chloro-1-[1-(2-methylphenyl)ethyl]benzimidazol-2-amine is Cc1ccccc1C(C)n1c(N)nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-[1-(2-methylphenyl)ethyl]benzimidazol-2-amine?
The InChIKey is MYRLHCISIOVZFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-10-5-3-4-6-13(10)11(2)20-15-9-12(17)7-8-14(15)19-16(20)18/h3-9,11H,1-2H3,(H2,18,19).
What are the key properties of 6-chloro-1-[1-(2-methylphenyl)ethyl]benzimidazol-2-amine?
6-chloro-1-[1-(2-methylphenyl)ethyl]benzimidazol-2-amine has a molecular weight of 285.78 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-[1-(2-methylphenyl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 115470510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).