2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide

C20H19N5O2 — CID 135988800

IUPAC2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2nc(-c3c(O)c(-c4ccccc4)nn3C)[nH]c2c1
InChIInChI=1S/C20H19N5O2/c1-24(2)20(27)13-9-10-14-15(11-13)22-19(21-14)17-18(26)16(23-25(17)3)12-7-5-4-6-8-12/h4-11,26H,1-3H3,(H,21,22)
InChIKeyDAASKWOVQWOLAU-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.04
Rot. Bonds3

About 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide

2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide (PubChem CID 135988800) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide
PubChem CID135988800
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide
SMILESCN(C)C(=O)c1ccc2nc(-c3c(O)c(-c4ccccc4)nn3C)[nH]c2c1
InChIInChI=1S/C20H19N5O2/c1-24(2)20(27)13-9-10-14-15(11-13)22-19(21-14)17-18(26)16(23-25(17)3)12-7-5-4-6-8-12/h4-11,26H,1-3H3,(H,21,22)
InChIKeyDAASKWOVQWOLAU-UHFFFAOYSA-N
XLogP3.04
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide;methane;2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide
CID 158194954
[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate
CID 135988871
5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol
CID 135988793
2-[5-(3-chlorophenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
CID 135988661
2-[5-(4-cyclopropylphenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
CID 135857348
3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide
CID 168555256
methyl N-[[4-[5-(6-carbamoyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylpyrazol-3-yl]phenyl]methyl]carbamate
CID 135988697
2-[5-[4-(azidomethyl)phenyl]-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
CID 136988244
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
bis[bis[bis[bis(phosphanyl)phosphanyl]phosphanyl]phosphanyl]-bis[bis(phosphanyl)phosphanyl]phosphanylphosphane;5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol;6-isocyano-2-[4-methoxy-2-methyl-5-(4-phenylphenyl)pyrazol-3-yl]-1H-benzimidazole;methane
CID 158430213
2-(1H-benzimidazol-2-yl)-1-(4-hydroxy-1-methyl-3-phenylpyrazol-5-yl)ethanone
CID 58188729
N,1-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)-3-phenylpyrazole-5-carboxamide
CID 166339220

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide (CID 135988800) is 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide is CN(C)C(=O)c1ccc2nc(-c3c(O)c(-c4ccccc4)nn3C)[nH]c2c1.
What is the InChIKey of 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide?
The InChIKey is DAASKWOVQWOLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-24(2)20(27)13-9-10-14-15(11-13)22-19(21-14)17-18(26)16(23-25(17)3)12-7-5-4-6-8-12/h4-11,26H,1-3H3,(H,21,22).
What are the key properties of 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide?
2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 135988800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).