N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide

C17H19N3OS — CID 95234003

IUPACN-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCCn1c([C@@H](C)NC(=O)Cc2cccs2)nc2ccccc21
InChIInChI=1S/C17H19N3OS/c1-3-20-15-9-5-4-8-14(15)19-17(20)12(2)18-16(21)11-13-7-6-10-22-13/h4-10,12H,3,11H2,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyKRLHDGHSGNKXBC-GFCCVEGCSA-N
MW313.43 g/mol
LogP3.54
Rot. Bonds5

About N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide

N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide (PubChem CID 95234003) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
PubChem CID95234003
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
SMILESCCn1c([C@@H](C)NC(=O)Cc2cccs2)nc2ccccc21
InChIInChI=1S/C17H19N3OS/c1-3-20-15-9-5-4-8-14(15)19-17(20)12(2)18-16(21)11-13-7-6-10-22-13/h4-10,12H,3,11H2,1-2H3,(H,18,21)/t12-/m1/s1
InChIKeyKRLHDGHSGNKXBC-GFCCVEGCSA-N
XLogP3.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 7025686
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 60597479
4-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 120565069
N-[(1R)-1-(1-propylbenzimidazol-2-yl)ethyl]propanamide
CID 751155
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204
1-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119866200
2-(4-methoxyphenyl)-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 16972665
3-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953447
N-[1-(1-undecylbenzimidazol-2-yl)ethyl]propanamide
CID 16968572
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-(methylamino)propanamide
CID 119866240
2-(2-methylbenzimidazol-1-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 7755575

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide (CID 95234003) is N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide is CCn1c([C@@H](C)NC(=O)Cc2cccs2)nc2ccccc21.
What is the InChIKey of N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is KRLHDGHSGNKXBC-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-3-20-15-9-5-4-8-14(15)19-17(20)12(2)18-16(21)11-13-7-6-10-22-13/h4-10,12H,3,11H2,1-2H3,(H,18,21)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide?
N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 313.43 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-ethylbenzimidazol-2-yl)ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 95234003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).