(2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride

C13H18Cl2N4O — CID 119808417

IUPAC(2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1nc2c(Cl)cccc2[nH]1.Cl
InChIInChI=1S/C13H17ClN4O.ClH/c1-7(2)6-9(15)12(19)18-13-16-10-5-3-4-8(14)11(10)17-13;/h3-5,7,9H,6,15H2,1-2H3,(H2,16,17,18,19);1H/t9-;/m0./s1
InChIKeyJXGDHMJYQAPDIS-FVGYRXGTSA-N
MW317.22 g/mol
LogP2.95
Rot. Bonds4

About (2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride

(2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride (PubChem CID 119808417) has the molecular formula C13H18Cl2N4O and a molecular weight of 317.22 g/mol. Its IUPAC name is (2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride
PubChem CID119808417
Molecular FormulaC13H18Cl2N4O
Molecular Weight317.22 g/mol
Exact Mass316.09
IUPAC Name(2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride
SMILESCC(C)C[C@H](N)C(=O)Nc1nc2c(Cl)cccc2[nH]1.Cl
InChIInChI=1S/C13H17ClN4O.ClH/c1-7(2)6-9(15)12(19)18-13-16-10-5-3-4-8(14)11(10)17-13;/h3-5,7,9H,6,15H2,1-2H3,(H2,16,17,18,19);1H/t9-;/m0./s1
InChIKeyJXGDHMJYQAPDIS-FVGYRXGTSA-N
XLogP2.95
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.22
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S,5R)-5-(aminomethyl)-N-(4-chloro-1H-benzimidazol-2-yl)oxolane-2-carboxamide;hydrochloride
CID 120795331
3-(4-chloro-1H-benzimidazol-2-yl)-2-methylpropanoic acid
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(2S)-2-(4-chloro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542564
(2R)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide
CID 104902699
(2S)-2-amino-N-(3-chloro-2-imidazol-1-ylphenyl)-4-methylpentanamide
CID 61155309
(2S)-2-amino-N-[(3-chloro-2-fluorophenyl)methyl]-4-methylpentanamide
CID 130299690
4-chloro-1H-benzimidazole-2-carboxamide
CID 175457980
(2S)-2-amino-N-(1H-imidazol-2-yl)-4-methylpentanamide
CID 63562983
(2S)-2-amino-4-methyl-N-(2-methylphenyl)pentanamide;hydrochloride
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(2S)-2-amino-N-(6-chloro-8-methylquinolin-5-yl)-4-methylpentanamide
CID 61155650

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride?
The IUPAC name of (2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride (CID 119808417) is (2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride.
What is the SMILES notation for (2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride?
The canonical SMILES for (2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride is CC(C)C[C@H](N)C(=O)Nc1nc2c(Cl)cccc2[nH]1.Cl.
What is the InChIKey of (2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride?
The InChIKey is JXGDHMJYQAPDIS-FVGYRXGTSA-N. The full InChI is InChI=1S/C13H17ClN4O.ClH/c1-7(2)6-9(15)12(19)18-13-16-10-5-3-4-8(14)11(10)17-13;/h3-5,7,9H,6,15H2,1-2H3,(H2,16,17,18,19);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride?
(2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride has a molecular weight of 317.22 g/mol, XLogP of 2.95, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(4-chloro-1H-benzimidazol-2-yl)-4-methylpentanamide;hydrochloride is sourced from PubChem (CID 119808417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).