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

C24H24ClN5O3 — CID 135553271

IUPAC2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N,N,7-trimethyl-3H-benzimidazole-5-carboxamide
SMILESCc1cc(C(=O)N(C)C)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12
InChIInChI=1S/C24H24ClN5O3/c1-13-9-15(24(33)30(2)3)11-18-21(13)29-22(28-18)20-17(7-8-26-23(20)32)27-12-19(31)14-5-4-6-16(25)10-14/h4-11,19,31H,12H2,1-3H3,(H,28,29)(H2,26,27,32)
InChIKeyAENCTNCRKXVXOM-UHFFFAOYSA-N
MW465.94 g/mol
LogP3.73
Rot. Bonds6

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

2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N,N,7-trimethyl-3H-benzimidazole-5-carboxamide (PubChem CID 135553271) has the molecular formula C24H24ClN5O3 and a molecular weight of 465.94 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N,N,7-trimethyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N,N,7-trimethyl-3H-benzimidazole-5-carboxamide
PubChem CID135553271
Molecular FormulaC24H24ClN5O3
Molecular Weight465.94 g/mol
Exact Mass465.16
IUPAC Name2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N,N,7-trimethyl-3H-benzimidazole-5-carboxamide
SMILESCc1cc(C(=O)N(C)C)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12
InChIInChI=1S/C24H24ClN5O3/c1-13-9-15(24(33)30(2)3)11-18-21(13)29-22(28-18)20-17(7-8-26-23(20)32)27-12-19(31)14-5-4-6-16(25)10-14/h4-11,19,31H,12H2,1-3H3,(H,28,29)(H2,26,27,32)
InChIKeyAENCTNCRKXVXOM-UHFFFAOYSA-N
XLogP3.73
TPSA114.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.94
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N,N,7-trimethyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N,N,7-trimethyl-3H-benzimidazole-5-carboxamide (CID 135553271) is 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N,N,7-trimethyl-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,N,7-trimethyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N,N,7-trimethyl-3H-benzimidazole-5-carboxamide is Cc1cc(C(=O)N(C)C)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,N,7-trimethyl-3H-benzimidazole-5-carboxamide?
The InChIKey is AENCTNCRKXVXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O3/c1-13-9-15(24(33)30(2)3)11-18-21(13)29-22(28-18)20-17(7-8-26-23(20)32)27-12-19(31)14-5-4-6-16(25)10-14/h4-11,19,31H,12H2,1-3H3,(H,28,29)(H2,26,27,32).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N,N,7-trimethyl-3H-benzimidazole-5-carboxamide?
2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N,N,7-trimethyl-3H-benzimidazole-5-carboxamide has a molecular weight of 465.94 g/mol, XLogP of 3.73, 6 rotatable bonds, 4 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,N,7-trimethyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 135553271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).