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

C22H22N4O2 — CID 135553323

IUPAC4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCc1cccc2[nH]c(-c3c(NC(CO)Cc4ccccc4)cc[nH]c3=O)nc12
InChIInChI=1S/C22H22N4O2/c1-14-6-5-9-18-20(14)26-21(25-18)19-17(10-11-23-22(19)28)24-16(13-27)12-15-7-3-2-4-8-15/h2-11,16,27H,12-13H2,1H3,(H,25,26)(H2,23,24,28)
InChIKeyUDENGOFIXSLHLB-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.24
Rot. Bonds6

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

4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (PubChem CID 135553323) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
PubChem CID135553323
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
SMILESCc1cccc2[nH]c(-c3c(NC(CO)Cc4ccccc4)cc[nH]c3=O)nc12
InChIInChI=1S/C22H22N4O2/c1-14-6-5-9-18-20(14)26-21(25-18)19-17(10-11-23-22(19)28)24-16(13-27)12-15-7-3-2-4-8-15/h2-11,16,27H,12-13H2,1H3,(H,25,26)(H2,23,24,28)
InChIKeyUDENGOFIXSLHLB-UHFFFAOYSA-N
XLogP3.24
TPSA93.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The IUPAC name of 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one (CID 135553323) is 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one.
What is the SMILES notation for 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The canonical SMILES for 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is Cc1cccc2[nH]c(-c3c(NC(CO)Cc4ccccc4)cc[nH]c3=O)nc12.
What is the InChIKey of 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
The InChIKey is UDENGOFIXSLHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-6-5-9-18-20(14)26-21(25-18)19-17(10-11-23-22(19)28)24-16(13-27)12-15-7-3-2-4-8-15/h2-11,16,27H,12-13H2,1H3,(H,25,26)(H2,23,24,28).
What are the key properties of 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one?
4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one has a molecular weight of 374.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-(4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one is sourced from PubChem (CID 135553323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).