2-[(1-cyclohexylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-3H-pyridin-4-one

C23H28N4O2 — CID 158267441

IUPAC2-[(1-cyclohexylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-3H-pyridin-4-one
SMILESO=C1C=C(N2CCOCC2)N=C(Cc2nc3ccccc3n2C2CCCCC2)C1
InChIInChI=1S/C23H28N4O2/c28-19-14-17(24-22(16-19)26-10-12-29-13-11-26)15-23-25-20-8-4-5-9-21(20)27(23)18-6-2-1-3-7-18/h4-5,8-9,16,18H,1-3,6-7,10-15H2
InChIKeyGIPVMKQGWTVARC-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.67
Rot. Bonds4

About 2-[(1-cyclohexylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-3H-pyridin-4-one

2-[(1-cyclohexylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-3H-pyridin-4-one (PubChem CID 158267441) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-[(1-cyclohexylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-3H-pyridin-4-one.

Molecular Properties

Compound Name2-[(1-cyclohexylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-3H-pyridin-4-one
PubChem CID158267441
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name2-[(1-cyclohexylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-3H-pyridin-4-one
SMILESO=C1C=C(N2CCOCC2)N=C(Cc2nc3ccccc3n2C2CCCCC2)C1
InChIInChI=1S/C23H28N4O2/c28-19-14-17(24-22(16-19)26-10-12-29-13-11-26)15-23-25-20-8-4-5-9-21(20)27(23)18-6-2-1-3-7-18/h4-5,8-9,16,18H,1-3,6-7,10-15H2
InChIKeyGIPVMKQGWTVARC-UHFFFAOYSA-N
XLogP3.67
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1-ethylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 157405231
2-(chloromethyl)-1-cyclobutylbenzimidazole
CID 62416767
2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile
CID 63638067
2-ethyl-1-[(3S)-oxan-3-yl]benzimidazole
CID 123829845
N-cyclohexyl-3-(3-morpholin-4-yl-2-oxoquinoxalin-1-yl)propanamide
CID 91951544
1-(1-cyclopropylbenzimidazol-2-yl)-N-methylmethanamine
CID 43142730
2-[3-(2,3-difluorophenyl)-2-oxopropyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 160582302
3-morpholin-4-yl-1-[[(2S)-oxan-2-yl]methyl]quinoxalin-2-one
CID 94181113
1-[(1-cyclopropylbenzimidazol-2-yl)methyl]-N-methylcyclohexan-1-amine
CID 65243114
1-(1-cyclooctylpiperidin-4-yl)-3-(4-hydroxypiperidin-1-yl)quinoxalin-2-one
CID 59451085
N-methyl-3-(2-propylbenzimidazol-1-yl)cyclohexan-1-amine
CID 115970719
1-methyl-3-morpholin-4-ylquinoxalin-2-one
CID 146169023

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclohexylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-3H-pyridin-4-one?
The IUPAC name of 2-[(1-cyclohexylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-3H-pyridin-4-one (CID 158267441) is 2-[(1-cyclohexylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-3H-pyridin-4-one.
What is the SMILES notation for 2-[(1-cyclohexylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-3H-pyridin-4-one?
The canonical SMILES for 2-[(1-cyclohexylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-3H-pyridin-4-one is O=C1C=C(N2CCOCC2)N=C(Cc2nc3ccccc3n2C2CCCCC2)C1.
What is the InChIKey of 2-[(1-cyclohexylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-3H-pyridin-4-one?
The InChIKey is GIPVMKQGWTVARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c28-19-14-17(24-22(16-19)26-10-12-29-13-11-26)15-23-25-20-8-4-5-9-21(20)27(23)18-6-2-1-3-7-18/h4-5,8-9,16,18H,1-3,6-7,10-15H2.
What are the key properties of 2-[(1-cyclohexylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-3H-pyridin-4-one?
2-[(1-cyclohexylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-3H-pyridin-4-one has a molecular weight of 392.50 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclohexylbenzimidazol-2-yl)methyl]-6-morpholin-4-yl-3H-pyridin-4-one is sourced from PubChem (CID 158267441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).