3-(1H-benzimidazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide

C16H16ClN3OS — CID 37207871

IUPAC3-(1H-benzimidazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H16ClN3OS/c1-20(10-11-6-7-14(17)22-11)16(21)9-8-15-18-12-4-2-3-5-13(12)19-15/h2-7H,8-10H2,1H3,(H,18,19)
InChIKeyZFQAKPPETGMEGZ-UHFFFAOYSA-N
MW333.84 g/mol
LogP3.87
Rot. Bonds5

About 3-(1H-benzimidazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide

3-(1H-benzimidazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide (PubChem CID 37207871) has the molecular formula C16H16ClN3OS and a molecular weight of 333.84 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
PubChem CID37207871
Molecular FormulaC16H16ClN3OS
Molecular Weight333.84 g/mol
Exact Mass333.07
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
SMILESCN(Cc1ccc(Cl)s1)C(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H16ClN3OS/c1-20(10-11-6-7-14(17)22-11)16(21)9-8-15-18-12-4-2-3-5-13(12)19-15/h2-7H,8-10H2,1H3,(H,18,19)
InChIKeyZFQAKPPETGMEGZ-UHFFFAOYSA-N
XLogP3.87
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
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3-[3-(1H-benzimidazol-2-yl)propanoyl-methylamino]propanoic acid
CID 60988746
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3-(1H-benzimidazol-2-yl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
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3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide
CID 42114788
N-[(5-chlorothiophen-2-yl)methyl]-3-(2-ethoxyphenyl)-N-methylpropanamide
CID 134061130
N-[(5-chlorothiophen-2-yl)methyl]-5-hydroxy-N-methylpentanamide
CID 79198622
6-[(5-chlorothiophen-2-yl)methyl-methylamino]-6-oxohexanoic acid
CID 54874852
N-[(5-chlorothiophen-2-yl)methyl]-N-methyl-2-quinazolin-4-yloxyacetamide
CID 51174011
3-(1H-benzimidazol-2-yl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide (CID 37207871) is 3-(1H-benzimidazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide is CN(Cc1ccc(Cl)s1)C(=O)CCc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide?
The InChIKey is ZFQAKPPETGMEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3OS/c1-20(10-11-6-7-14(17)22-11)16(21)9-8-15-18-12-4-2-3-5-13(12)19-15/h2-7H,8-10H2,1H3,(H,18,19).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide?
3-(1H-benzimidazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide has a molecular weight of 333.84 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 37207871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).