2-methyl-3-(1H-pyrazol-4-yl)benzimidazole-5-carbonitrile

C12H9N5 — CID 90032195

IUPAC2-methyl-3-(1H-pyrazol-4-yl)benzimidazole-5-carbonitrile
SMILESCc1nc2ccc(C#N)cc2n1-c1cn[nH]c1
InChIInChI=1S/C12H9N5/c1-8-16-11-3-2-9(5-13)4-12(11)17(8)10-6-14-15-7-10/h2-4,6-7H,1H3,(H,14,15)
InChIKeyIRBFIAKSCKVBHQ-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.93
Rot. Bonds1

About 2-methyl-3-(1H-pyrazol-4-yl)benzimidazole-5-carbonitrile

2-methyl-3-(1H-pyrazol-4-yl)benzimidazole-5-carbonitrile (PubChem CID 90032195) has the molecular formula C12H9N5 and a molecular weight of 223.24 g/mol. Its IUPAC name is 2-methyl-3-(1H-pyrazol-4-yl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-methyl-3-(1H-pyrazol-4-yl)benzimidazole-5-carbonitrile
PubChem CID90032195
Molecular FormulaC12H9N5
Molecular Weight223.24 g/mol
Exact Mass223.09
IUPAC Name2-methyl-3-(1H-pyrazol-4-yl)benzimidazole-5-carbonitrile
SMILESCc1nc2ccc(C#N)cc2n1-c1cn[nH]c1
InChIInChI=1S/C12H9N5/c1-8-16-11-3-2-9(5-13)4-12(11)17(8)10-6-14-15-7-10/h2-4,6-7H,1H3,(H,14,15)
InChIKeyIRBFIAKSCKVBHQ-UHFFFAOYSA-N
XLogP1.93
TPSA70.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-fluoro-2-methylbenzimidazol-1-yl)benzonitrile
CID 83418617
1-(1H-pyrazol-4-yl)indazole-5-carbonitrile
CID 175755944
2-amino-3-(3-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714790
2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712447
2-(4-fluorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712543
2-(1-chloroethyl)-3-(4-methylphenyl)benzimidazole-5-carbonitrile
CID 104715383
2-amino-3-(4-ethoxyphenyl)benzimidazole-5-carbonitrile
CID 104714758
6-methoxy-2-methyl-1-(4-methylphenyl)benzimidazole
CID 155921327
3-[4-amino-5-fluoro-6-(4-methylanilino)pyrimidin-2-yl]-2-methylbenzimidazole-5-carbonitrile
CID 90177114
2-amino-3-(3-chloro-4-methoxyphenyl)benzimidazole-5-carbonitrile
CID 104714818
4-(5-amino-2-methylbenzimidazol-1-yl)-3-methoxybenzonitrile
CID 104850058
2-(5-bromo-3-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712509

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1H-pyrazol-4-yl)benzimidazole-5-carbonitrile?
The IUPAC name of 2-methyl-3-(1H-pyrazol-4-yl)benzimidazole-5-carbonitrile (CID 90032195) is 2-methyl-3-(1H-pyrazol-4-yl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-methyl-3-(1H-pyrazol-4-yl)benzimidazole-5-carbonitrile?
The canonical SMILES for 2-methyl-3-(1H-pyrazol-4-yl)benzimidazole-5-carbonitrile is Cc1nc2ccc(C#N)cc2n1-c1cn[nH]c1.
What is the InChIKey of 2-methyl-3-(1H-pyrazol-4-yl)benzimidazole-5-carbonitrile?
The InChIKey is IRBFIAKSCKVBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5/c1-8-16-11-3-2-9(5-13)4-12(11)17(8)10-6-14-15-7-10/h2-4,6-7H,1H3,(H,14,15).
What are the key properties of 2-methyl-3-(1H-pyrazol-4-yl)benzimidazole-5-carbonitrile?
2-methyl-3-(1H-pyrazol-4-yl)benzimidazole-5-carbonitrile has a molecular weight of 223.24 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1H-pyrazol-4-yl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 90032195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).