N-[[4-(6-thiophen-3-ylbenzimidazol-1-yl)phenyl]methyl]acetamide

C20H17N3OS — CID 126648413

IUPACN-[[4-(6-thiophen-3-ylbenzimidazol-1-yl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-n2cnc3ccc(-c4ccsc4)cc32)cc1
InChIInChI=1S/C20H17N3OS/c1-14(24)21-11-15-2-5-18(6-3-15)23-13-22-19-7-4-16(10-20(19)23)17-8-9-25-12-17/h2-10,12-13H,11H2,1H3,(H,21,24)
InChIKeyJEVJBLNFKKCOLU-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.39
Rot. Bonds4

About N-[[4-(6-thiophen-3-ylbenzimidazol-1-yl)phenyl]methyl]acetamide

N-[[4-(6-thiophen-3-ylbenzimidazol-1-yl)phenyl]methyl]acetamide (PubChem CID 126648413) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[[4-(6-thiophen-3-ylbenzimidazol-1-yl)phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-(6-thiophen-3-ylbenzimidazol-1-yl)phenyl]methyl]acetamide
PubChem CID126648413
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC NameN-[[4-(6-thiophen-3-ylbenzimidazol-1-yl)phenyl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-n2cnc3ccc(-c4ccsc4)cc32)cc1
InChIInChI=1S/C20H17N3OS/c1-14(24)21-11-15-2-5-18(6-3-15)23-13-22-19-7-4-16(10-20(19)23)17-8-9-25-12-17/h2-10,12-13H,11H2,1H3,(H,21,24)
InChIKeyJEVJBLNFKKCOLU-UHFFFAOYSA-N
XLogP4.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
CID 39964592
[4-[3-(4-methoxyphenyl)benzimidazol-5-yl]phenyl]methanol
CID 139571338
N-[[4-(2-methylimidazol-1-yl)phenyl]methyl]acetamide
CID 43907556
(2R)-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-2-methylsulfonylpropanamide
CID 52535721
N-[[4-(benzimidazol-1-yl)phenyl]methyl]pyrazine-2-carboxamide
CID 49004009
(2S)-2-amino-N-[[4-(benzimidazol-1-yl)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119760560
3-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 49133984
N-methoxy-3-[4-[(4-methylphenyl)methoxy]phenyl]benzimidazole-5-carboxamide
CID 170106123
4-(benzimidazol-1-yl)-N-benzylthiophene-2-carboxamide
CID 155230893
N-[(4-thiophen-3-ylphenyl)methyl]ethanamine
CID 65100759
N-[(4-aminophenyl)methyl]-4-(benzimidazol-1-yl)thiophene-2-carboxamide
CID 155230921
1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(3-ethylpyrrol-1-yl)urea
CID 169434122

Frequently Asked Questions

What is the IUPAC name of N-[[4-(6-thiophen-3-ylbenzimidazol-1-yl)phenyl]methyl]acetamide?
The IUPAC name of N-[[4-(6-thiophen-3-ylbenzimidazol-1-yl)phenyl]methyl]acetamide (CID 126648413) is N-[[4-(6-thiophen-3-ylbenzimidazol-1-yl)phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-(6-thiophen-3-ylbenzimidazol-1-yl)phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-(6-thiophen-3-ylbenzimidazol-1-yl)phenyl]methyl]acetamide is CC(=O)NCc1ccc(-n2cnc3ccc(-c4ccsc4)cc32)cc1.
What is the InChIKey of N-[[4-(6-thiophen-3-ylbenzimidazol-1-yl)phenyl]methyl]acetamide?
The InChIKey is JEVJBLNFKKCOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-14(24)21-11-15-2-5-18(6-3-15)23-13-22-19-7-4-16(10-20(19)23)17-8-9-25-12-17/h2-10,12-13H,11H2,1H3,(H,21,24).
What are the key properties of N-[[4-(6-thiophen-3-ylbenzimidazol-1-yl)phenyl]methyl]acetamide?
N-[[4-(6-thiophen-3-ylbenzimidazol-1-yl)phenyl]methyl]acetamide has a molecular weight of 347.44 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(6-thiophen-3-ylbenzimidazol-1-yl)phenyl]methyl]acetamide is sourced from PubChem (CID 126648413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).