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

C24H22N6O2 — CID 135542937

IUPAC4-[(2-hydroxy-2-phenylethyl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCC(O)c4ccccc4)cc[nH]c3=O)nc12
InChIInChI=1S/C24H22N6O2/c1-15-11-17(30-10-9-25-14-30)12-19-22(15)29-23(28-19)21-18(7-8-26-24(21)32)27-13-20(31)16-5-3-2-4-6-16/h2-12,14,20,31H,13H2,1H3,(H,28,29)(H2,26,27,32)
InChIKeyLQRBWXDBMNHGCK-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.56
Rot. Bonds6

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

4-[(2-hydroxy-2-phenylethyl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (PubChem CID 135542937) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 4-[(2-hydroxy-2-phenylethyl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(2-hydroxy-2-phenylethyl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
PubChem CID135542937
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name4-[(2-hydroxy-2-phenylethyl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCC(O)c4ccccc4)cc[nH]c3=O)nc12
InChIInChI=1S/C24H22N6O2/c1-15-11-17(30-10-9-25-14-30)12-19-22(15)29-23(28-19)21-18(7-8-26-24(21)32)27-13-20(31)16-5-3-2-4-6-16/h2-12,14,20,31H,13H2,1H3,(H,28,29)(H2,26,27,32)
InChIKeyLQRBWXDBMNHGCK-UHFFFAOYSA-N
XLogP3.56
TPSA111.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 4-[(2-hydroxy-2-phenylethyl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one with MolForge

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Related Compounds

Bms-536924
CID 135440466
3-[5-(1H-Imidazol-1-YL)-7-methyl-1H-benzimidazol-2-YL]-4-[(pyridin-2-ylmethyl)amino]pyridin-2(1H)-one
CID 135530418
methyl N-[1-[2-[4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]piperidin-4-yl]carbamate
CID 135960720
(S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(4-hydroxypiperidin-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
CID 135960711
(S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(4-methoxypiperidin-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
CID 135960712
(S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(4-(2-methoxyethoxy)piperidin-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
CID 135960713
4-((S)-2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-methyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
CID 135960715
(S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(6-(4-(dimethylamino)piperidin-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
CID 135960717
(S)-N-(1-(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-oxo-1,2-dihydropyridin-3-yl)-4-methyl-1H-benzo[d]imidazol-6-yl)piperidin-4-yl)cyclopropanecarboxamide
CID 135960719
3-[6-[4-[bis(2-methoxyethyl)amino]piperidin-1-yl]-4-methyl-1H-benzimidazol-2-yl]-4-[[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]-1H-pyridin-2-one
CID 135960721
(S)-3-(6-(4-(4-acetylpiperazin-1-yl)piperidin-1-yl)-4-methyl-1H-benzo[d]imidazol-2-yl)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)pyridin-2(1H)-one
CID 135960725
(S)-3-(4-(2-(4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-2-oxo-1,2-dihydropyridin-3-yl)-7-methyl-1H-benzo[d]imidazol-5-yl)piperazin-1-yl)propanenitrile
CID 135423375

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-2-phenylethyl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 4-[(2-hydroxy-2-phenylethyl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (CID 135542937) is 4-[(2-hydroxy-2-phenylethyl)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-phenylethyl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-[(2-hydroxy-2-phenylethyl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCC(O)c4ccccc4)cc[nH]c3=O)nc12.
What is the InChIKey of 4-[(2-hydroxy-2-phenylethyl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The InChIKey is LQRBWXDBMNHGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c1-15-11-17(30-10-9-25-14-30)12-19-22(15)29-23(28-19)21-18(7-8-26-24(21)32)27-13-20(31)16-5-3-2-4-6-16/h2-12,14,20,31H,13H2,1H3,(H,28,29)(H2,26,27,32).
What are the key properties of 4-[(2-hydroxy-2-phenylethyl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
4-[(2-hydroxy-2-phenylethyl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one has a molecular weight of 426.48 g/mol, XLogP of 3.56, 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-phenylethyl)amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 135542937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).