1-cyclopropyl-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide

C20H15F2N5O2 — CID 154851203

IUPAC1-cyclopropyl-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1ccc2c(c1)[nH]c(=O)n2C1CC1
InChIInChI=1S/C20H15F2N5O2/c21-13-3-1-2-12(18(13)22)14-9-17(26-25-14)24-19(28)10-4-7-16-15(8-10)23-20(29)27(16)11-5-6-11/h1-4,7-9,11H,5-6H2,(H,23,29)(H2,24,25,26,28)
InChIKeyOLFDKJAEPXMLGW-UHFFFAOYSA-N
MW395.37 g/mol
LogP3.59
Rot. Bonds4

About 1-cyclopropyl-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide

1-cyclopropyl-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 154851203) has the molecular formula C20H15F2N5O2 and a molecular weight of 395.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID154851203
Molecular FormulaC20H15F2N5O2
Molecular Weight395.37 g/mol
Exact Mass395.12
IUPAC Name1-cyclopropyl-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1ccc2c(c1)[nH]c(=O)n2C1CC1
InChIInChI=1S/C20H15F2N5O2/c21-13-3-1-2-12(18(13)22)14-9-17(26-25-14)24-19(28)10-4-7-16-15(8-10)23-20(29)27(16)11-5-6-11/h1-4,7-9,11H,5-6H2,(H,23,29)(H2,24,25,26,28)
InChIKeyOLFDKJAEPXMLGW-UHFFFAOYSA-N
XLogP3.59
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 167786474
N-(5-butyl-1H-pyrazol-3-yl)-1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 154833521
6-amino-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]pyridine-3-carboxamide
CID 166319443
N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 71917921
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
1-cyclopentyl-N-[(2-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 71170291
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(4-hydroxycyclohexyl)-2-oxo-3H-benzimidazole-5-carboxamide
CID 70728301
N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-3-[[(2-methylpyrimidin-4-yl)amino]methyl]benzamide
CID 154838311
1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 6489617
3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
CID 117365069
N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-ethylsulfonylacetamide
CID 75381080

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 154851203) is 1-cyclopropyl-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide is O=C(Nc1cc(-c2cccc(F)c2F)[nH]n1)c1ccc2c(c1)[nH]c(=O)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is OLFDKJAEPXMLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O2/c21-13-3-1-2-12(18(13)22)14-9-17(26-25-14)24-19(28)10-4-7-16-15(8-10)23-20(29)27(16)11-5-6-11/h1-4,7-9,11H,5-6H2,(H,23,29)(H2,24,25,26,28).
What are the key properties of 1-cyclopropyl-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-cyclopropyl-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 395.37 g/mol, XLogP of 3.59, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[5-(2,3-difluorophenyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 154851203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).