2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one

C24H30ClN5O3 — CID 146485760

IUPAC2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one
SMILESCC(C)(O)C(=O)N1CCC(CCc2c(C3CC3)[nH]n(-c3nc4ccc(Cl)cc4[nH]3)c2=O)CC1
InChIInChI=1S/C24H30ClN5O3/c1-24(2,33)22(32)29-11-9-14(10-12-29)3-7-17-20(15-4-5-15)28-30(21(17)31)23-26-18-8-6-16(25)13-19(18)27-23/h6,8,13-15,28,33H,3-5,7,9-12H2,1-2H3,(H,26,27)
InChIKeyDWCWXOWJTRWVIH-UHFFFAOYSA-N
MW471.99 g/mol
LogP3.51
Rot. Bonds6

About 2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one

2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one (PubChem CID 146485760) has the molecular formula C24H30ClN5O3 and a molecular weight of 471.99 g/mol. Its IUPAC name is 2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one
PubChem CID146485760
Molecular FormulaC24H30ClN5O3
Molecular Weight471.99 g/mol
Exact Mass471.20
IUPAC Name2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one
SMILESCC(C)(O)C(=O)N1CCC(CCc2c(C3CC3)[nH]n(-c3nc4ccc(Cl)cc4[nH]3)c2=O)CC1
InChIInChI=1S/C24H30ClN5O3/c1-24(2,33)22(32)29-11-9-14(10-12-29)3-7-17-20(15-4-5-15)28-30(21(17)31)23-26-18-8-6-16(25)13-19(18)27-23/h6,8,13-15,28,33H,3-5,7,9-12H2,1-2H3,(H,26,27)
InChIKeyDWCWXOWJTRWVIH-UHFFFAOYSA-N
XLogP3.51
TPSA107.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.99
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one?
The IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one (CID 146485760) is 2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one.
What is the SMILES notation for 2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one?
The canonical SMILES for 2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one is CC(C)(O)C(=O)N1CCC(CCc2c(C3CC3)[nH]n(-c3nc4ccc(Cl)cc4[nH]3)c2=O)CC1.
What is the InChIKey of 2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one?
The InChIKey is DWCWXOWJTRWVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN5O3/c1-24(2,33)22(32)29-11-9-14(10-12-29)3-7-17-20(15-4-5-15)28-30(21(17)31)23-26-18-8-6-16(25)13-19(18)27-23/h6,8,13-15,28,33H,3-5,7,9-12H2,1-2H3,(H,26,27).
What are the key properties of 2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one?
2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one has a molecular weight of 471.99 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-benzimidazol-2-yl)-5-cyclopropyl-4-[2-[1-(2-hydroxy-2-methylpropanoyl)piperidin-4-yl]ethyl]-1H-pyrazol-3-one is sourced from PubChem (CID 146485760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).