2-(5-ethylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile

C17H17N3S — CID 65040081

IUPAC2-(5-ethylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
SMILESCCc1ccc(-c2nc3cc(C#N)ccc3n2C(C)C)s1
InChIInChI=1S/C17H17N3S/c1-4-13-6-8-16(21-13)17-19-14-9-12(10-18)5-7-15(14)20(17)11(2)3/h5-9,11H,4H2,1-3H3
InChIKeyKSQCOCYZAVIBHH-UHFFFAOYSA-N
MW295.41 g/mol
LogP4.78
Rot. Bonds3

About 2-(5-ethylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile

2-(5-ethylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile (PubChem CID 65040081) has the molecular formula C17H17N3S and a molecular weight of 295.41 g/mol. Its IUPAC name is 2-(5-ethylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(5-ethylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
PubChem CID65040081
Molecular FormulaC17H17N3S
Molecular Weight295.41 g/mol
Exact Mass295.11
IUPAC Name2-(5-ethylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
SMILESCCc1ccc(-c2nc3cc(C#N)ccc3n2C(C)C)s1
InChIInChI=1S/C17H17N3S/c1-4-13-6-8-16(21-13)17-19-14-9-12(10-18)5-7-15(14)20(17)11(2)3/h5-9,11H,4H2,1-3H3
InChIKeyKSQCOCYZAVIBHH-UHFFFAOYSA-N
XLogP4.78
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-Benzothiazolyl)-3-ethyl-2-[2-(methylphenylamino)ethenyl]-1-phenyl-1H-benzimidazolium iodide
CID 5719375
N-[(E)-2-[5-(1,3-benzothiazol-2-yl)-3-ethyl-1-phenylbenzimidazol-3-ium-2-yl]ethenyl]-N-methylaniline
CID 2326992
1-Methyl-2-thiophen-2-ylbenzimidazole
CID 931177
1-Isopropyl-2-thiophen-2-yl-1H-benzoimidazole
CID 949166
1,3-dimethyl-2-(2-thienyl)-1H-3,1-benzimidazol-3-ium chloride
CID 2866315
1-(prop-2-en-1-yl)-2-(thiophen-2-yl)-1H-1,3-benzodiazole
CID 962267
1-[(2-methylphenyl)methyl]-2-(thiophen-2-yl)-1H-1,3-benzodiazole
CID 962311
3-(2-{2-[(4-methylphenyl)sulfonyl]ethyl}-1H-benzimidazol-1-yl)propanenitrile
CID 2925354
2-(3-isopropyl-2-oxo-2,3-dihydro-benzoimidazol-1-ylmethyl)-1-(3-methyl-butyl)-1H-benzoimidazole-5-carbonitrile
CID 22349324
3-(3-Methylbutyl)-2-[(2-oxo-3-propan-2-ylbenzimidazol-1-yl)methyl]benzimidazole-5-carbonitrile
CID 22349327
1H-1,3-Benzimidazole, 1-(2-propynyl)-2-(2-thienyl)-
CID 1508979
1-Ethyl-2-methyl-1H-benzimidazole-5-carbonitrile
CID 722385

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(5-ethylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile (CID 65040081) is 2-(5-ethylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(5-ethylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(5-ethylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile is CCc1ccc(-c2nc3cc(C#N)ccc3n2C(C)C)s1.
What is the InChIKey of 2-(5-ethylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
The InChIKey is KSQCOCYZAVIBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3S/c1-4-13-6-8-16(21-13)17-19-14-9-12(10-18)5-7-15(14)20(17)11(2)3/h5-9,11H,4H2,1-3H3.
What are the key properties of 2-(5-ethylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile?
2-(5-ethylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile has a molecular weight of 295.41 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethylthiophen-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 65040081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).