4-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one

C25H24N6O2 — CID 135681727

IUPAC4-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCc1ccc(C(O)CNc2cc[nH]c(=O)c2-c2nc3c(C)cc(-n4ccnc4)cc3[nH]2)cc1
InChIInChI=1S/C25H24N6O2/c1-15-3-5-17(6-4-15)21(32)13-28-19-7-8-27-25(33)22(19)24-29-20-12-18(31-10-9-26-14-31)11-16(2)23(20)30-24/h3-12,14,21,32H,13H2,1-2H3,(H,29,30)(H2,27,28,33)
InChIKeyRWCLQKOEQQUIAH-UHFFFAOYSA-N
MW440.51 g/mol
LogP3.87
Rot. Bonds6

About 4-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one

4-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (PubChem CID 135681727) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is 4-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
PubChem CID135681727
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name4-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCc1ccc(C(O)CNc2cc[nH]c(=O)c2-c2nc3c(C)cc(-n4ccnc4)cc3[nH]2)cc1
InChIInChI=1S/C25H24N6O2/c1-15-3-5-17(6-4-15)21(32)13-28-19-7-8-27-25(33)22(19)24-29-20-12-18(31-10-9-26-14-31)11-16(2)23(20)30-24/h3-12,14,21,32H,13H2,1-2H3,(H,29,30)(H2,27,28,33)
InChIKeyRWCLQKOEQQUIAH-UHFFFAOYSA-N
XLogP3.87
TPSA111.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 4-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (CID 135681727) is 4-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is Cc1ccc(C(O)CNc2cc[nH]c(=O)c2-c2nc3c(C)cc(-n4ccnc4)cc3[nH]2)cc1.
What is the InChIKey of 4-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The InChIKey is RWCLQKOEQQUIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-15-3-5-17(6-4-15)21(32)13-28-19-7-8-27-25(33)22(19)24-29-20-12-18(31-10-9-26-14-31)11-16(2)23(20)30-24/h3-12,14,21,32H,13H2,1-2H3,(H,29,30)(H2,27,28,33).
What are the key properties of 4-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
4-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one has a molecular weight of 440.51 g/mol, XLogP of 3.87, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-hydroxy-2-(4-methylphenyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 135681727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).