N-[(1-phenacylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide

C21H17N3O2S — CID 16973875

IUPACN-[(1-phenacylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide
SMILESO=C(Cn1c(CNC(=O)c2cccs2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C21H17N3O2S/c25-18(15-7-2-1-3-8-15)14-24-17-10-5-4-9-16(17)23-20(24)13-22-21(26)19-11-6-12-27-19/h1-12H,13-14H2,(H,22,26)
InChIKeyKJMVYMDSOUSXRW-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.91
Rot. Bonds6

About N-[(1-phenacylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide

N-[(1-phenacylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 16973875) has the molecular formula C21H17N3O2S and a molecular weight of 375.45 g/mol. Its IUPAC name is N-[(1-phenacylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1-phenacylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide
PubChem CID16973875
Molecular FormulaC21H17N3O2S
Molecular Weight375.45 g/mol
Exact Mass375.10
IUPAC NameN-[(1-phenacylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide
SMILESO=C(Cn1c(CNC(=O)c2cccs2)nc2ccccc21)c1ccccc1
InChIInChI=1S/C21H17N3O2S/c25-18(15-7-2-1-3-8-15)14-24-17-10-5-4-9-16(17)23-20(24)13-22-21(26)19-11-6-12-27-19/h1-12H,13-14H2,(H,22,26)
InChIKeyKJMVYMDSOUSXRW-UHFFFAOYSA-N
XLogP3.91
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(4-phenoxybutyl)benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973825
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973758
N-[[1-[2-[benzyl(cyclohexyl)amino]-2-oxoethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973861
N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973752
N-[[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973793
3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide
CID 17008517
N-[5-[1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]benzimidazol-2-yl]pentyl]thiophene-2-carboxamide
CID 16994913
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973845
N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]thiophene-2-carboxamide
CID 53022323
N-[[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973816
N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973840
N-[3-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982163

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenacylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(1-phenacylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide (CID 16973875) is N-[(1-phenacylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(1-phenacylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(1-phenacylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide is O=C(Cn1c(CNC(=O)c2cccs2)nc2ccccc21)c1ccccc1.
What is the InChIKey of N-[(1-phenacylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is KJMVYMDSOUSXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2S/c25-18(15-7-2-1-3-8-15)14-24-17-10-5-4-9-16(17)23-20(24)13-22-21(26)19-11-6-12-27-19/h1-12H,13-14H2,(H,22,26).
What are the key properties of N-[(1-phenacylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide?
N-[(1-phenacylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 375.45 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenacylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 16973875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).