1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]benzimidazole-5-carbonitrile

C19H13ClFN5 — CID 137458422

IUPAC1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]benzimidazole-5-carbonitrile
SMILESCc1nn(C)c(-n2cnc3cc(C#N)ccc32)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C19H13ClFN5/c1-11-18(14-5-4-13(21)8-15(14)20)19(25(2)24-11)26-10-23-16-7-12(9-22)3-6-17(16)26/h3-8,10H,1-2H3
InChIKeyPCORIYYOWDGEAR-UHFFFAOYSA-N
MW365.80 g/mol
LogP4.40
Rot. Bonds2

About 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]benzimidazole-5-carbonitrile

1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]benzimidazole-5-carbonitrile (PubChem CID 137458422) has the molecular formula C19H13ClFN5 and a molecular weight of 365.80 g/mol. Its IUPAC name is 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]benzimidazole-5-carbonitrile
PubChem CID137458422
Molecular FormulaC19H13ClFN5
Molecular Weight365.80 g/mol
Exact Mass365.08
IUPAC Name1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]benzimidazole-5-carbonitrile
SMILESCc1nn(C)c(-n2cnc3cc(C#N)ccc32)c1-c1ccc(F)cc1Cl
InChIInChI=1S/C19H13ClFN5/c1-11-18(14-5-4-13(21)8-15(14)20)19(25(2)24-11)26-10-23-16-7-12(9-22)3-6-17(16)26/h3-8,10H,1-2H3
InChIKeyPCORIYYOWDGEAR-UHFFFAOYSA-N
XLogP4.40
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.80
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]benzimidazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]benzimidazole-5-carboxylate
CID 137458351
1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-5,7-difluorobenzimidazole
CID 137458561
1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-methoxybenzimidazole
CID 137458585
1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-7-fluorobenzimidazole-5-carboxamide
CID 137458400
4-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]morpholine
CID 140655061
3-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]-6-nitrobenzimidazole-4-carboxylic acid
CID 142521605
1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile
CID 171652040
1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
CID 65100751
5-[bromo-(2,4-difluorophenyl)methyl]-4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazole
CID 66765584
2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65034977
2-(3-chloro-4-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 82879135
4-(2-chloro-4-fluorophenyl)-5-(2-chlorophenoxy)-1,3-dimethylpyrazole
CID 141279737

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]benzimidazole-5-carbonitrile?
The IUPAC name of 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]benzimidazole-5-carbonitrile (CID 137458422) is 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]benzimidazole-5-carbonitrile?
The canonical SMILES for 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]benzimidazole-5-carbonitrile is Cc1nn(C)c(-n2cnc3cc(C#N)ccc32)c1-c1ccc(F)cc1Cl.
What is the InChIKey of 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]benzimidazole-5-carbonitrile?
The InChIKey is PCORIYYOWDGEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN5/c1-11-18(14-5-4-13(21)8-15(14)20)19(25(2)24-11)26-10-23-16-7-12(9-22)3-6-17(16)26/h3-8,10H,1-2H3.
What are the key properties of 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]benzimidazole-5-carbonitrile?
1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]benzimidazole-5-carbonitrile has a molecular weight of 365.80 g/mol, XLogP of 4.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-4-fluorophenyl)-1,3-dimethylpyrazol-5-yl]benzimidazole-5-carbonitrile is sourced from PubChem (CID 137458422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).