4-(benzimidazol-1-yl)-N-benzylthiophene-2-carboxamide

C19H15N3OS — CID 155230893

IUPAC4-(benzimidazol-1-yl)-N-benzylthiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-n2cnc3ccccc32)cs1
InChIInChI=1S/C19H15N3OS/c23-19(20-11-14-6-2-1-3-7-14)18-10-15(12-24-18)22-13-21-16-8-4-5-9-17(16)22/h1-10,12-13H,11H2,(H,20,23)
InChIKeyMTXCCTVUBRHPHV-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.02
Rot. Bonds4

About 4-(benzimidazol-1-yl)-N-benzylthiophene-2-carboxamide

4-(benzimidazol-1-yl)-N-benzylthiophene-2-carboxamide (PubChem CID 155230893) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-benzylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-benzylthiophene-2-carboxamide
PubChem CID155230893
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name4-(benzimidazol-1-yl)-N-benzylthiophene-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(-n2cnc3ccccc32)cs1
InChIInChI=1S/C19H15N3OS/c23-19(20-11-14-6-2-1-3-7-14)18-10-15(12-24-18)22-13-21-16-8-4-5-9-17(16)22/h1-10,12-13H,11H2,(H,20,23)
InChIKeyMTXCCTVUBRHPHV-UHFFFAOYSA-N
XLogP4.02
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-aminophenyl)methyl]-4-(benzimidazol-1-yl)thiophene-2-carboxamide
CID 155230921
4-(benzimidazol-1-yl)thiophene-2-carboxamide
CID 50970159
N-[[4-(benzimidazol-1-yl)phenyl]methyl]pyrazine-2-carboxamide
CID 49004009
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 121080191
1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(2-hydroxyphenyl)urea
CID 169434130
4-(acetamidomethyl)-N-[4-(benzimidazol-1-yl)phenyl]benzamide
CID 39964592
3-[3-(benzimidazol-1-yl)phenyl]propanoic acid
CID 82514384
N-benzylthiophene-2-carboxamide
CID 574227
4-(benzimidazol-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 24549547
1-[[4-(benzimidazol-1-yl)phenyl]methyl]-3-(3-ethylpyrrol-1-yl)urea
CID 169434122
N-[[4-(benzimidazol-1-yl)phenyl]methyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
CID 166402905

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-benzylthiophene-2-carboxamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-benzylthiophene-2-carboxamide (CID 155230893) is 4-(benzimidazol-1-yl)-N-benzylthiophene-2-carboxamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-benzylthiophene-2-carboxamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-benzylthiophene-2-carboxamide is O=C(NCc1ccccc1)c1cc(-n2cnc3ccccc32)cs1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-benzylthiophene-2-carboxamide?
The InChIKey is MTXCCTVUBRHPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c23-19(20-11-14-6-2-1-3-7-14)18-10-15(12-24-18)22-13-21-16-8-4-5-9-17(16)22/h1-10,12-13H,11H2,(H,20,23).
What are the key properties of 4-(benzimidazol-1-yl)-N-benzylthiophene-2-carboxamide?
4-(benzimidazol-1-yl)-N-benzylthiophene-2-carboxamide has a molecular weight of 333.42 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-benzylthiophene-2-carboxamide is sourced from PubChem (CID 155230893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).