3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide

C11H12ClN3O — CID 43700582

IUPAC3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
SMILESCc1nc2ccc(NC(=O)CCCl)cc2[nH]1
InChIInChI=1S/C11H12ClN3O/c1-7-13-9-3-2-8(6-10(9)14-7)15-11(16)4-5-12/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16)
InChIKeySVBVSOAKMGKZPT-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.44
Rot. Bonds3

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

3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide (PubChem CID 43700582) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
PubChem CID43700582
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
SMILESCc1nc2ccc(NC(=O)CCCl)cc2[nH]1
InChIInChI=1S/C11H12ClN3O/c1-7-13-9-3-2-8(6-10(9)14-7)15-11(16)4-5-12/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16)
InChIKeySVBVSOAKMGKZPT-UHFFFAOYSA-N
XLogP2.44
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 79204355
N-(2-methyl-3H-benzimidazol-5-yl)-3-oxobutanamide
CID 61250337
N-(2-tert-butyl-3H-benzimidazol-5-yl)-3-chloropropanamide
CID 61251536
N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide
CID 127255298
2-anilino-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60860935
2-(butan-2-ylamino)-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 60853212
3-chloro-N-[4-[6-[2-[4-(3-chloropropanoylamino)phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenyl]propanamide
CID 11628600
4-amino-2,2-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 115156908
2,2-difluoro-N-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 103515060
N-(3H-benzimidazol-5-yl)-3-chloropropanamide
CID 110460990
2-methyl-3-(methylamino)-N-(2-methyl-3H-benzimidazol-5-yl)propanamide
CID 79195442
4-(1H-indol-3-yl)-N-(2-methyl-3H-benzimidazol-5-yl)butanamide
CID 51044500

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide?
The IUPAC name of 3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide (CID 43700582) is 3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide.
What is the SMILES notation for 3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide?
The canonical SMILES for 3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide is Cc1nc2ccc(NC(=O)CCCl)cc2[nH]1.
What is the InChIKey of 3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide?
The InChIKey is SVBVSOAKMGKZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-7-13-9-3-2-8(6-10(9)14-7)15-11(16)4-5-12/h2-3,6H,4-5H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide?
3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide has a molecular weight of 237.69 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-methyl-3H-benzimidazol-5-yl)propanamide is sourced from PubChem (CID 43700582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).