1-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carbonitrile

C16H17N5 — CID 102811452

IUPAC1-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carbonitrile
SMILESCCc1nn(C)cc1-c1nc2cc(C#N)ccc2n1CC
InChIInChI=1S/C16H17N5/c1-4-13-12(10-20(3)19-13)16-18-14-8-11(9-17)6-7-15(14)21(16)5-2/h6-8,10H,4-5H2,1-3H3
InChIKeyXLNIFLHGPIPOSY-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.89
Rot. Bonds3

About 1-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carbonitrile

1-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carbonitrile (PubChem CID 102811452) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 1-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carbonitrile
PubChem CID102811452
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name1-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carbonitrile
SMILESCCc1nn(C)cc1-c1nc2cc(C#N)ccc2n1CC
InChIInChI=1S/C16H17N5/c1-4-13-12(10-20(3)19-13)16-18-14-8-11(9-17)6-7-15(14)21(16)5-2/h6-8,10H,4-5H2,1-3H3
InChIKeyXLNIFLHGPIPOSY-UHFFFAOYSA-N
XLogP2.89
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-2-pyrimidin-5-ylbenzimidazole-5-carbonitrile
CID 102922935
2-(5-bromo-2-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65309133
2-(5-chloro-2-fluorophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040586
1-ethyl-2-pyridin-4-ylbenzimidazole-5-carbonitrile
CID 65034992
2-(3,5-difluorophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040108
1-ethyl-2-pyridin-2-ylbenzimidazole-5-carbonitrile
CID 65040158
2-(3-bromophenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 65040395
1-ethyl-2-(thiadiazol-4-yl)benzimidazole-5-carbonitrile
CID 65215977
2-(3-chloro-5-methylphenyl)-1-ethylbenzimidazole-5-carbonitrile
CID 81315845
1-ethyl-2-(1-ethylindazol-3-yl)benzimidazole-5-carbonitrile
CID 167934547
2-(2-fluorophenyl)-1-propylbenzimidazole-5-carbonitrile
CID 65040443
1-ethyl-2-(5-fluoro-3-pyridinyl)benzimidazole-5-carbonitrile
CID 104786689

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carbonitrile (CID 102811452) is 1-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carbonitrile is CCc1nn(C)cc1-c1nc2cc(C#N)ccc2n1CC.
What is the InChIKey of 1-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carbonitrile?
The InChIKey is XLNIFLHGPIPOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-4-13-12(10-20(3)19-13)16-18-14-8-11(9-17)6-7-15(14)21(16)5-2/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 1-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carbonitrile?
1-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carbonitrile has a molecular weight of 279.35 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 102811452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).