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

C16H17N3O2S — CID 110400789

IUPACN-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C16H17N3O2S/c20-15(8-7-12-4-3-11-22-12)17-9-10-19-14-6-2-1-5-13(14)18-16(19)21/h1-6,11H,7-10H2,(H,17,20)(H,18,21)
InChIKeyQMNWUCBHCKSWTD-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.14
Rot. Bonds6

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

N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-thiophen-2-ylpropanamide (PubChem CID 110400789) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-thiophen-2-ylpropanamide
PubChem CID110400789
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C16H17N3O2S/c20-15(8-7-12-4-3-11-22-12)17-9-10-19-14-6-2-1-5-13(14)18-16(19)21/h1-6,11H,7-10H2,(H,17,20)(H,18,21)
InChIKeyQMNWUCBHCKSWTD-UHFFFAOYSA-N
XLogP2.14
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]pentanamide
CID 110617564
3-(4-fluorophenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide
CID 110610959
4-(3-chlorophenyl)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]butanamide
CID 110420297
2-(2-methoxyphenoxy)-N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]acetamide
CID 110400765
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 17417855
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-phenylbutanamide
CID 110610902
3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide
CID 110419764
4-(2-methylphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide
CID 110420411
phenyl N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]carbamate
CID 110400773
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]adamantane-1-carboxamide
CID 110400781
4-(2-methylphenyl)-4-oxo-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]butanamide
CID 110611000
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(2-oxo-3H-benzimidazol-1-yl)propanamide
CID 91770832

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-thiophen-2-ylpropanamide (CID 110400789) is N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)NCCn1c(=O)[nH]c2ccccc21.
What is the InChIKey of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-thiophen-2-ylpropanamide?
The InChIKey is QMNWUCBHCKSWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c20-15(8-7-12-4-3-11-22-12)17-9-10-19-14-6-2-1-5-13(14)18-16(19)21/h1-6,11H,7-10H2,(H,17,20)(H,18,21).
What are the key properties of N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-thiophen-2-ylpropanamide?
N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-thiophen-2-ylpropanamide has a molecular weight of 315.40 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 110400789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).