(4R)-5-(1H-benzimidazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one

C22H17N5O — CID 136810396

IUPAC(4R)-5-(1H-benzimidazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@H](c2ccccn2)N1
InChIInChI=1S/C22H17N5O/c28-22-26-19(14-8-2-1-3-9-14)18(20(27-22)17-12-6-7-13-23-17)21-24-15-10-4-5-11-16(15)25-21/h1-13,20H,(H,24,25)(H2,26,27,28)/t20-/m0/s1
InChIKeyZCEMUQJWEWQGME-FQEVSTJZSA-N
MW367.41 g/mol
LogP3.88
Rot. Bonds3

About (4R)-5-(1H-benzimidazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one

(4R)-5-(1H-benzimidazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 136810396) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is (4R)-5-(1H-benzimidazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name(4R)-5-(1H-benzimidazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID136810396
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name(4R)-5-(1H-benzimidazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@H](c2ccccn2)N1
InChIInChI=1S/C22H17N5O/c28-22-26-19(14-8-2-1-3-9-14)18(20(27-22)17-12-6-7-13-23-17)21-24-15-10-4-5-11-16(15)25-21/h1-13,20H,(H,24,25)(H2,26,27,28)/t20-/m0/s1
InChIKeyZCEMUQJWEWQGME-FQEVSTJZSA-N
XLogP3.88
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-5-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 136810404
(4R)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 135577553
(4R)-5-(1H-benzimidazol-2-yl)-4-(2,3-dimethoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 136906278
5-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 4535425
(4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 7745751
copper;palladium;2-pyridin-2-yl-1H-benzimidazole
CID 174748574
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
platinum;2-pyridin-2-yl-1H-benzimidazole
CID 174864241
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;zinc
CID 174639851
(4R)-4-(4-fluorophenyl)-6-phenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 7745784

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(1H-benzimidazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of (4R)-5-(1H-benzimidazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one (CID 136810396) is (4R)-5-(1H-benzimidazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for (4R)-5-(1H-benzimidazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for (4R)-5-(1H-benzimidazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@H](c2ccccn2)N1.
What is the InChIKey of (4R)-5-(1H-benzimidazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is ZCEMUQJWEWQGME-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H17N5O/c28-22-26-19(14-8-2-1-3-9-14)18(20(27-22)17-12-6-7-13-23-17)21-24-15-10-4-5-11-16(15)25-21/h1-13,20H,(H,24,25)(H2,26,27,28)/t20-/m0/s1.
What are the key properties of (4R)-5-(1H-benzimidazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one?
(4R)-5-(1H-benzimidazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 367.41 g/mol, XLogP of 3.88, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(1H-benzimidazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 136810396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).