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

C19H23N5O2 — CID 167786474

IUPAC1-cyclopropyl-N-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCC(C)CCc1cc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CC2)n[nH]1
InChIInChI=1S/C19H23N5O2/c1-11(2)3-5-13-10-17(23-22-13)21-18(25)12-4-8-16-15(9-12)20-19(26)24(16)14-6-7-14/h4,8-11,14H,3,5-7H2,1-2H3,(H,20,26)(H2,21,22,23,25)
InChIKeyGOAOKWNCPASZPF-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.23
Rot. Bonds6

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

1-cyclopropyl-N-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 167786474) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-cyclopropyl-N-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID167786474
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name1-cyclopropyl-N-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCC(C)CCc1cc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CC2)n[nH]1
InChIInChI=1S/C19H23N5O2/c1-11(2)3-5-13-10-17(23-22-13)21-18(25)12-4-8-16-15(9-12)20-19(26)24(16)14-6-7-14/h4,8-11,14H,3,5-7H2,1-2H3,(H,20,26)(H2,21,22,23,25)
InChIKeyGOAOKWNCPASZPF-UHFFFAOYSA-N
XLogP3.23
TPSA95.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 167786474) is 1-cyclopropyl-N-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide is CC(C)CCc1cc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CC2)n[nH]1.
What is the InChIKey of 1-cyclopropyl-N-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is GOAOKWNCPASZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-11(2)3-5-13-10-17(23-22-13)21-18(25)12-4-8-16-15(9-12)20-19(26)24(16)14-6-7-14/h4,8-11,14H,3,5-7H2,1-2H3,(H,20,26)(H2,21,22,23,25).
What are the key properties of 1-cyclopropyl-N-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-cyclopropyl-N-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 3.23, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[5-(3-methylbutyl)-1H-pyrazol-3-yl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 167786474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).