N-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide

C11H12ClN3O — CID 84581968

IUPACN-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2nc(Cl)[nH]c2c1
InChIInChI=1S/C11H12ClN3O/c1-6(2)10(16)13-7-3-4-8-9(5-7)15-11(12)14-8/h3-6H,1-2H3,(H,13,16)(H,14,15)
InChIKeyCCPINJIHFXWDND-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.81
Rot. Bonds2

About N-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide

N-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide (PubChem CID 84581968) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is N-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide
PubChem CID84581968
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC NameN-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc2nc(Cl)[nH]c2c1
InChIInChI=1S/C11H12ClN3O/c1-6(2)10(16)13-7-3-4-8-9(5-7)15-11(12)14-8/h3-6H,1-2H3,(H,13,16)(H,14,15)
InChIKeyCCPINJIHFXWDND-UHFFFAOYSA-N
XLogP2.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84581019
N-(2-chloro-3H-benzimidazol-5-yl)-2-methoxyacetamide
CID 84581757
3,4-dichloro-N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84580791
N-(2-chloro-3H-benzimidazol-5-yl)-2,6-dimethoxybenzamide
CID 84579347
N-(2-chloro-3H-benzimidazol-5-yl)-4-(dimethylamino)benzamide
CID 84582445
N-(2-chloro-3H-benzimidazol-5-yl)cyclohexanecarboxamide
CID 84581323
N-(2-chloro-3H-benzimidazol-5-yl)-3,4,5-trimethoxybenzamide
CID 84580880
2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 103515060
N-[2-(4,5-dihydro-1,3-thiazol-2-yl)-3H-benzimidazol-5-yl]-2-methylpropanamide;molecular hydrogen
CID 145377083
2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 79195442
N-(2-tert-butyl-3H-benzimidazol-5-yl)-2-(methylamino)propanamide
CID 62639166
2-(hydroxymethyl)-3-methyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 115187183

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide?
The IUPAC name of N-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide (CID 84581968) is N-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide.
What is the SMILES notation for N-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide?
The canonical SMILES for N-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide is CC(C)C(=O)Nc1ccc2nc(Cl)[nH]c2c1.
What is the InChIKey of N-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide?
The InChIKey is CCPINJIHFXWDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-6(2)10(16)13-7-3-4-8-9(5-7)15-11(12)14-8/h3-6H,1-2H3,(H,13,16)(H,14,15).
What are the key properties of N-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide?
N-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide has a molecular weight of 237.69 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3H-benzimidazol-5-yl)-2-methylpropanamide is sourced from PubChem (CID 84581968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).