N-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide

C16H17N3OS — CID 110791377

IUPACN-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C16H17N3OS/c20-16(6-4-13-2-1-9-21-13)17-8-7-12-3-5-14-15(10-12)19-11-18-14/h1-3,5,9-11H,4,6-8H2,(H,17,20)(H,18,19)
InChIKeyJHLLURHZHIDNNK-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide

N-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 110791377) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
PubChem CID110791377
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCCc1ccc2nc[nH]c2c1
InChIInChI=1S/C16H17N3OS/c20-16(6-4-13-2-1-9-21-13)17-8-7-12-3-5-14-15(10-12)19-11-18-14/h1-3,5,9-11H,4,6-8H2,(H,17,20)(H,18,19)
InChIKeyJHLLURHZHIDNNK-UHFFFAOYSA-N
XLogP2.92
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(3H-benzimidazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 115163730
N-[2-(3H-benzimidazol-5-yl)ethyl]butanamide
CID 110791317
N-[2-(3H-benzimidazol-5-yl)ethyl]-3,3-dimethylbutanamide
CID 110791381
N-[2-(3H-benzimidazol-5-yl)ethyl]-2-(ethylamino)acetamide
CID 115158058
N-[2-(4-methylsulfonylphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110790640
N-(3H-benzimidazol-5-ylmethyl)-3-(4-fluorophenyl)propanamide
CID 110785494
N-[2-(3-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110295233
3-(3H-benzimidazol-5-yl)propanoic acid;hydrochloride
CID 132889297
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 17417855
3-(1H-indol-6-yl)-N-(thiophen-2-ylmethyl)propanamide
CID 71840750
2-(3H-benzimidazol-5-yl)-N-(3-phenylpropyl)acetamide
CID 110772427
N-[2-(4-oxopentanoylamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 108542186

Frequently Asked Questions

What is the IUPAC name of N-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide (CID 110791377) is N-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)NCCc1ccc2nc[nH]c2c1.
What is the InChIKey of N-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is JHLLURHZHIDNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c20-16(6-4-13-2-1-9-21-13)17-8-7-12-3-5-14-15(10-12)19-11-18-14/h1-3,5,9-11H,4,6-8H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide?
N-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 299.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3H-benzimidazol-5-yl)ethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110791377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).