1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide

C20H17N3OS — CID 86268678

IUPAC1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCc1cccc(-n2cnc3cc(C(=O)NCc4cccs4)ccc32)c1
InChIInChI=1S/C20H17N3OS/c1-14-4-2-5-16(10-14)23-13-22-18-11-15(7-8-19(18)23)20(24)21-12-17-6-3-9-25-17/h2-11,13H,12H2,1H3,(H,21,24)
InChIKeyFBOHOTOSASQNLZ-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.33
Rot. Bonds4

About 1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide

1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide (PubChem CID 86268678) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
PubChem CID86268678
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
SMILESCc1cccc(-n2cnc3cc(C(=O)NCc4cccs4)ccc32)c1
InChIInChI=1S/C20H17N3OS/c1-14-4-2-5-16(10-14)23-13-22-18-11-15(7-8-19(18)23)20(24)21-12-17-6-3-9-25-17/h2-11,13H,12H2,1H3,(H,21,24)
InChIKeyFBOHOTOSASQNLZ-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3279711
1-(3-methylphenyl)-N-octylbenzimidazole-5-carboxamide
CID 3614186
1-(3-methylphenyl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]benzimidazole-5-carboxamide
CID 154851573
N-[(2-methoxy-6-methylcyclohexa-1,3-dien-1-yl)methyl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
CID 144712535
1-(3,5-dimethylphenyl)-N-propylbenzimidazole-5-carboxamide
CID 3662061
1-(3-fluorophenyl)-N-propylbenzimidazole-5-carboxamide
CID 3447663
3-(2-methoxyphenyl)-4-oxo-N-(thiophen-2-ylmethyl)quinazoline-7-carboxamide
CID 39347985
N-[1-(2-methoxyethyl)pyrrolidin-3-yl]-1-(3-methylphenyl)benzimidazole-5-carboxamide
CID 136553580
3-bromo-4-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 79460548
3-(2-methylimidazo[4,5-b]pyridin-3-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 20916275
3-(3-methylimidazo[4,5-b]pyridin-2-yl)-N-(thiophen-2-ylmethyl)benzamide
CID 53148873
2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 22588071

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide (CID 86268678) is 1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide is Cc1cccc(-n2cnc3cc(C(=O)NCc4cccs4)ccc32)c1.
What is the InChIKey of 1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
The InChIKey is FBOHOTOSASQNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-14-4-2-5-16(10-14)23-13-22-18-11-15(7-8-19(18)23)20(24)21-12-17-6-3-9-25-17/h2-11,13H,12H2,1H3,(H,21,24).
What are the key properties of 1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide?
1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 86268678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).