2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopropyl-7-methyl-3H-benzimidazole-5-carboxamide

C25H24ClN5O3 — CID 135553269

IUPAC2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopropyl-7-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12
InChIInChI=1S/C25H24ClN5O3/c1-13-9-15(24(33)29-17-5-6-17)11-19-22(13)31-23(30-19)21-18(7-8-27-25(21)34)28-12-20(32)14-3-2-4-16(26)10-14/h2-4,7-11,17,20,32H,5-6,12H2,1H3,(H,29,33)(H,30,31)(H2,27,28,34)
InChIKeyUHIYZXSEOHGEBS-UHFFFAOYSA-N
MW477.95 g/mol
LogP3.92
Rot. Bonds7

About 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopropyl-7-methyl-3H-benzimidazole-5-carboxamide

2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopropyl-7-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 135553269) has the molecular formula C25H24ClN5O3 and a molecular weight of 477.95 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopropyl-7-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopropyl-7-methyl-3H-benzimidazole-5-carboxamide
PubChem CID135553269
Molecular FormulaC25H24ClN5O3
Molecular Weight477.95 g/mol
Exact Mass477.16
IUPAC Name2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopropyl-7-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12
InChIInChI=1S/C25H24ClN5O3/c1-13-9-15(24(33)29-17-5-6-17)11-19-22(13)31-23(30-19)21-18(7-8-27-25(21)34)28-12-20(32)14-3-2-4-16(26)10-14/h2-4,7-11,17,20,32H,5-6,12H2,1H3,(H,29,33)(H,30,31)(H2,27,28,34)
InChIKeyUHIYZXSEOHGEBS-UHFFFAOYSA-N
XLogP3.92
TPSA122.90 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.95
LogP ≤ 53.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopropyl-7-methyl-3H-benzimidazole-5-carboxamide 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-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopropyl-7-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopropyl-7-methyl-3H-benzimidazole-5-carboxamide (CID 135553269) is 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopropyl-7-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopropyl-7-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopropyl-7-methyl-3H-benzimidazole-5-carboxamide is Cc1cc(C(=O)NC2CC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopropyl-7-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is UHIYZXSEOHGEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN5O3/c1-13-9-15(24(33)29-17-5-6-17)11-19-22(13)31-23(30-19)21-18(7-8-27-25(21)34)28-12-20(32)14-3-2-4-16(26)10-14/h2-4,7-11,17,20,32H,5-6,12H2,1H3,(H,29,33)(H,30,31)(H2,27,28,34).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopropyl-7-methyl-3H-benzimidazole-5-carboxamide?
2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopropyl-7-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 477.95 g/mol, XLogP of 3.92, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopropyl-7-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 135553269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).