[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-phenylmethanone

C19H14N2OS — CID 874018

IUPAC[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-phenylmethanone
SMILESCn1c(-c2ccc(C(=O)c3ccccc3)s2)nc2ccccc21
InChIInChI=1S/C19H14N2OS/c1-21-15-10-6-5-9-14(15)20-19(21)17-12-11-16(23-17)18(22)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyVIYUPCGLZMHTDJ-UHFFFAOYSA-N
MW318.40 g/mol
LogP4.53
Rot. Bonds3

About [5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-phenylmethanone

[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-phenylmethanone (PubChem CID 874018) has the molecular formula C19H14N2OS and a molecular weight of 318.40 g/mol. Its IUPAC name is [5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-phenylmethanone
PubChem CID874018
Molecular FormulaC19H14N2OS
Molecular Weight318.40 g/mol
Exact Mass318.08
IUPAC Name[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-phenylmethanone
SMILESCn1c(-c2ccc(C(=O)c3ccccc3)s2)nc2ccccc21
InChIInChI=1S/C19H14N2OS/c1-21-15-10-6-5-9-14(15)20-19(21)17-12-11-16(23-17)18(22)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyVIYUPCGLZMHTDJ-UHFFFAOYSA-N
XLogP4.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-phenylthiophene-2-carboxamide
CID 11341428
2,2,2-trifluoro-1-[5-({3-phenyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazin-7-yl}carbonyl)thiophen-2-yl]ethan-1-one
CID 25023802
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]thiophene-2-carboxamide
CID 25190510
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-acetylthiophene-2-carboxamide
CID 25190522
(1-methyl-1H-benzimidazol-2-yl)(phenyl)methanone
CID 677925
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]thiophene-3-carboxamide
CID 25190511
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(2-methylpropanoyl)thiophene-2-carboxamide
CID 25190523
N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-benzoylthiophene-2-carboxamide
CID 25190524
2-Aminobenzimidazole with trans-stilbene, 8b
CID 25190545
2-Aminobenzimidazole with trans-stilbene, 8c
CID 25190546
2-Aminobenzimidazole with trans-stilbene, 8f
CID 25190548
2-Aminobenzimidazole with trans-stilbene, 9c
CID 25190566

Frequently Asked Questions

What is the IUPAC name of [5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-phenylmethanone?
The IUPAC name of [5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-phenylmethanone (CID 874018) is [5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-phenylmethanone.
What is the SMILES notation for [5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-phenylmethanone?
The canonical SMILES for [5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-phenylmethanone is Cn1c(-c2ccc(C(=O)c3ccccc3)s2)nc2ccccc21.
What is the InChIKey of [5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-phenylmethanone?
The InChIKey is VIYUPCGLZMHTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2OS/c1-21-15-10-6-5-9-14(15)20-19(21)17-12-11-16(23-17)18(22)13-7-3-2-4-8-13/h2-12H,1H3.
What are the key properties of [5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-phenylmethanone?
[5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-phenylmethanone has a molecular weight of 318.40 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-methylbenzimidazol-2-yl)thiophen-2-yl]-phenylmethanone is sourced from PubChem (CID 874018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).