4-(2-amino-6-chloro-7-methylbenzimidazol-1-yl)butanamide

C12H15ClN4O — CID 112741051

IUPAC4-(2-amino-6-chloro-7-methylbenzimidazol-1-yl)butanamide
SMILESCc1c(Cl)ccc2nc(N)n(CCCC(N)=O)c12
InChIInChI=1S/C12H15ClN4O/c1-7-8(13)4-5-9-11(7)17(12(15)16-9)6-2-3-10(14)18/h4-5H,2-3,6H2,1H3,(H2,14,18)(H2,15,16)
InChIKeyIIASDAYZCWCDKK-UHFFFAOYSA-N
MW266.73 g/mol
LogP1.85
Rot. Bonds4

About 4-(2-amino-6-chloro-7-methylbenzimidazol-1-yl)butanamide

4-(2-amino-6-chloro-7-methylbenzimidazol-1-yl)butanamide (PubChem CID 112741051) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-(2-amino-6-chloro-7-methylbenzimidazol-1-yl)butanamide.

Molecular Properties

Compound Name4-(2-amino-6-chloro-7-methylbenzimidazol-1-yl)butanamide
PubChem CID112741051
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name4-(2-amino-6-chloro-7-methylbenzimidazol-1-yl)butanamide
SMILESCc1c(Cl)ccc2nc(N)n(CCCC(N)=O)c12
InChIInChI=1S/C12H15ClN4O/c1-7-8(13)4-5-9-11(7)17(12(15)16-9)6-2-3-10(14)18/h4-5H,2-3,6H2,1H3,(H2,14,18)(H2,15,16)
InChIKeyIIASDAYZCWCDKK-UHFFFAOYSA-N
XLogP1.85
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-amino-5-methylimidazo[4,5-b]pyridin-3-yl)pentanamide
CID 106239996
6-chloro-7-methyl-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 112741063
5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide
CID 106239939
3-(2-amino-7-chlorobenzimidazol-1-yl)propanoic acid
CID 84736897
4-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60863795
3-(2-amino-7-chlorobenzimidazol-1-yl)propan-1-ol
CID 91671805
methyl 3-(2-amino-7-chlorobenzimidazol-1-yl)propanoate
CID 61294077
6-chloro-1,7-dimethylbenzimidazole-2-carboxylic acid
CID 84624653
5-[7-chloro-2-(1-chloroethyl)benzimidazol-1-yl]pentanamide
CID 106240470
5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
CID 106240006
2-(2-amino-7-methylbenzimidazol-1-yl)ethyl carbamate
CID 83204061
3-(6-chloro-1,7-dimethylbenzimidazol-2-yl)-2,2-dimethylpropanoic acid
CID 84642739

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-chloro-7-methylbenzimidazol-1-yl)butanamide?
The IUPAC name of 4-(2-amino-6-chloro-7-methylbenzimidazol-1-yl)butanamide (CID 112741051) is 4-(2-amino-6-chloro-7-methylbenzimidazol-1-yl)butanamide.
What is the SMILES notation for 4-(2-amino-6-chloro-7-methylbenzimidazol-1-yl)butanamide?
The canonical SMILES for 4-(2-amino-6-chloro-7-methylbenzimidazol-1-yl)butanamide is Cc1c(Cl)ccc2nc(N)n(CCCC(N)=O)c12.
What is the InChIKey of 4-(2-amino-6-chloro-7-methylbenzimidazol-1-yl)butanamide?
The InChIKey is IIASDAYZCWCDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-7-8(13)4-5-9-11(7)17(12(15)16-9)6-2-3-10(14)18/h4-5H,2-3,6H2,1H3,(H2,14,18)(H2,15,16).
What are the key properties of 4-(2-amino-6-chloro-7-methylbenzimidazol-1-yl)butanamide?
4-(2-amino-6-chloro-7-methylbenzimidazol-1-yl)butanamide has a molecular weight of 266.73 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-chloro-7-methylbenzimidazol-1-yl)butanamide is sourced from PubChem (CID 112741051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).