N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide

C16H17N3OS — CID 17417855

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H17N3OS/c20-16(8-7-12-4-3-11-21-12)17-10-9-15-18-13-5-1-2-6-14(13)19-15/h1-6,11H,7-10H2,(H,17,20)(H,18,19)
InChIKeyKWWYJRCPWGKFHB-UHFFFAOYSA-N
MW299.40 g/mol
LogP2.92
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 17417855) has the molecular formula C16H17N3OS and a molecular weight of 299.40 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
PubChem CID17417855
Molecular FormulaC16H17N3OS
Molecular Weight299.40 g/mol
Exact Mass299.11
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H17N3OS/c20-16(8-7-12-4-3-11-21-12)17-10-9-15-18-13-5-1-2-6-14(13)19-15/h1-6,11H,7-10H2,(H,17,20)(H,18,19)
InChIKeyKWWYJRCPWGKFHB-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

N-(1H-benzimidazol-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 17406287
4-(1H-benzimidazol-2-yl)-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]butanamide
CID 46411184
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
2-(1H-benzimidazol-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 66526955
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 77090072
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiophen-3-ylacetamide
CID 43229184
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-(1,3-benzothiazol-2-yl)pentanamide
CID 30249316
3-(1H-benzimidazol-2-yl)-N-(3-phenylsulfanylpropyl)propanamide
CID 27163927

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide (CID 17417855) is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is KWWYJRCPWGKFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3OS/c20-16(8-7-12-4-3-11-21-12)17-10-9-15-18-13-5-1-2-6-14(13)19-15/h1-6,11H,7-10H2,(H,17,20)(H,18,19).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide?
N-[2-(1H-benzimidazol-2-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-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 17417855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).