N-[[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide

C21H18N4OS — CID 4838698

IUPACN-[[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide
SMILESCn1c(CC(=NNC(=O)c2cccs2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C21H18N4OS/c1-25-18-11-6-5-10-16(18)22-20(25)14-17(15-8-3-2-4-9-15)23-24-21(26)19-12-7-13-27-19/h2-13H,14H2,1H3,(H,24,26)
InChIKeyZQUDRXHJNWLRMT-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.01
Rot. Bonds5

About N-[[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide

N-[[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide (PubChem CID 4838698) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide
PubChem CID4838698
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC NameN-[[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide
SMILESCn1c(CC(=NNC(=O)c2cccs2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C21H18N4OS/c1-25-18-11-6-5-10-16(18)22-20(25)14-17(15-8-3-2-4-9-15)23-24-21(26)19-12-7-13-27-19/h2-13H,14H2,1H3,(H,24,26)
InChIKeyZQUDRXHJNWLRMT-UHFFFAOYSA-N
XLogP4.01
TPSA59.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(NZ)-N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]hydroxylamine
CID 41015253
N-[(2S)-3-methyl-1-[(1-methylbenzimidazol-2-yl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51729314
N-[(1-phenacylbenzimidazol-2-yl)methyl]thiophene-2-carboxamide
CID 16973875
N-[(E)-(2-methyl-1-phenylpropylidene)amino]thiophene-2-carboxamide
CID 6154232
N-[(Z)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide
CID 6235724
N-[(E)-[2-(1H-imidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide
CID 6390210
N-[1-(4-hydroxyphenyl)propylideneamino]thiophene-2-carboxamide
CID 951050
N-[2-(1-propylbenzimidazol-2-yl)ethyl]thiophene-2-carboxamide
CID 751300
N-[1-(1-methylbenzimidazol-2-yl)ethylideneamino]benzamide
CID 3968667
6-(1-methylbenzimidazol-2-yl)-5-oxohexanoic acid
CID 58580438
N-[2-[(4-benzoylpiperazin-1-yl)methyl]-1-methylbenzimidazol-5-yl]thiophene-2-carboxamide
CID 17235984
2-(1-methylbenzimidazol-2-yl)sulfanyl-1-thiophen-2-ylethanone
CID 13157327

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide?
The IUPAC name of N-[[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide (CID 4838698) is N-[[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide.
What is the SMILES notation for N-[[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide?
The canonical SMILES for N-[[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide is Cn1c(CC(=NNC(=O)c2cccs2)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-[[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide?
The InChIKey is ZQUDRXHJNWLRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-25-18-11-6-5-10-16(18)22-20(25)14-17(15-8-3-2-4-9-15)23-24-21(26)19-12-7-13-27-19/h2-13H,14H2,1H3,(H,24,26).
What are the key properties of N-[[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide?
N-[[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide has a molecular weight of 374.47 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylbenzimidazol-2-yl)-1-phenylethylidene]amino]thiophene-2-carboxamide is sourced from PubChem (CID 4838698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).