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

C27H28ClN5O3 — CID 135553268

IUPAC2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopentyl-7-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12
InChIInChI=1S/C27H28ClN5O3/c1-15-11-17(26(35)31-19-7-2-3-8-19)13-21-24(15)33-25(32-21)23-20(9-10-29-27(23)36)30-14-22(34)16-5-4-6-18(28)12-16/h4-6,9-13,19,22,34H,2-3,7-8,14H2,1H3,(H,31,35)(H,32,33)(H2,29,30,36)
InChIKeyVOEZJKBTZPTQLU-UHFFFAOYSA-N
MW506.01 g/mol
LogP4.70
Rot. Bonds7

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

2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopentyl-7-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 135553268) has the molecular formula C27H28ClN5O3 and a molecular weight of 506.01 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopentyl-7-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopentyl-7-methyl-3H-benzimidazole-5-carboxamide
PubChem CID135553268
Molecular FormulaC27H28ClN5O3
Molecular Weight506.01 g/mol
Exact Mass505.19
IUPAC Name2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopentyl-7-methyl-3H-benzimidazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12
InChIInChI=1S/C27H28ClN5O3/c1-15-11-17(26(35)31-19-7-2-3-8-19)13-21-24(15)33-25(32-21)23-20(9-10-29-27(23)36)30-14-22(34)16-5-4-6-18(28)12-16/h4-6,9-13,19,22,34H,2-3,7-8,14H2,1H3,(H,31,35)(H,32,33)(H2,29,30,36)
InChIKeyVOEZJKBTZPTQLU-UHFFFAOYSA-N
XLogP4.70
TPSA122.90 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.01
LogP ≤ 54.70
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopentyl-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-cyclopentyl-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-cyclopentyl-7-methyl-3H-benzimidazole-5-carboxamide (CID 135553268) is 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopentyl-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-cyclopentyl-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-cyclopentyl-7-methyl-3H-benzimidazole-5-carboxamide is Cc1cc(C(=O)NC2CCCC2)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-cyclopentyl-7-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is VOEZJKBTZPTQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClN5O3/c1-15-11-17(26(35)31-19-7-2-3-8-19)13-21-24(15)33-25(32-21)23-20(9-10-29-27(23)36)30-14-22(34)16-5-4-6-18(28)12-16/h4-6,9-13,19,22,34H,2-3,7-8,14H2,1H3,(H,31,35)(H,32,33)(H2,29,30,36).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopentyl-7-methyl-3H-benzimidazole-5-carboxamide?
2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N-cyclopentyl-7-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 506.01 g/mol, XLogP of 4.70, 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-cyclopentyl-7-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 135553268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).