6-chloro-7-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine

C13H16ClN3 — CID 112741063

IUPAC6-chloro-7-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
SMILESCc1c(Cl)ccc2nc(N)n(CC3(C)CC3)c12
InChIInChI=1S/C13H16ClN3/c1-8-9(14)3-4-10-11(8)17(12(15)16-10)7-13(2)5-6-13/h3-4H,5-7H2,1-2H3,(H2,15,16)
InChIKeyLECGBSABTXUNPT-UHFFFAOYSA-N
MW249.74 g/mol
LogP3.38
Rot. Bonds2

About 6-chloro-7-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine

6-chloro-7-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine (PubChem CID 112741063) has the molecular formula C13H16ClN3 and a molecular weight of 249.74 g/mol. Its IUPAC name is 6-chloro-7-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-chloro-7-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
PubChem CID112741063
Molecular FormulaC13H16ClN3
Molecular Weight249.74 g/mol
Exact Mass249.10
IUPAC Name6-chloro-7-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
SMILESCc1c(Cl)ccc2nc(N)n(CC3(C)CC3)c12
InChIInChI=1S/C13H16ClN3/c1-8-9(14)3-4-10-11(8)17(12(15)16-10)7-13(2)5-6-13/h3-4H,5-7H2,1-2H3,(H2,15,16)
InChIKeyLECGBSABTXUNPT-UHFFFAOYSA-N
XLogP3.38
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-amino-6-chloro-7-methylbenzimidazol-1-yl)butanamide
CID 112741051
5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 114101070
5-chloro-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazol-2-amine
CID 107164637
7-chloro-2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]benzimidazole
CID 107164720
7-methyl-1-[(2-methylthiolan-2-yl)methyl]benzimidazol-2-amine
CID 113333998
6-chloro-2-(2-chloroethyl)-1-(cyclobutylmethyl)-7-methylbenzimidazole
CID 112741073
2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830322
6-fluoro-5-iodo-1-[(1-methylcyclobutyl)methyl]benzimidazol-2-amine
CID 114108848
5-methyl-3-[(1-propylcyclopropyl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 114101096
2-(chloromethyl)-1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methylbenzimidazole
CID 107164708
7-chloro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-amine
CID 55097622
7-chloro-1-(3-methyl-2-propan-2-ylbutyl)benzimidazol-2-amine
CID 102906797

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine?
The IUPAC name of 6-chloro-7-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine (CID 112741063) is 6-chloro-7-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 6-chloro-7-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 6-chloro-7-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine is Cc1c(Cl)ccc2nc(N)n(CC3(C)CC3)c12.
What is the InChIKey of 6-chloro-7-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine?
The InChIKey is LECGBSABTXUNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-8-9(14)3-4-10-11(8)17(12(15)16-10)7-13(2)5-6-13/h3-4H,5-7H2,1-2H3,(H2,15,16).
What are the key properties of 6-chloro-7-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine?
6-chloro-7-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine has a molecular weight of 249.74 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 112741063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).