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

C25H22N4O3 — CID 136906278

IUPAC(4R)-5-(1H-benzimidazol-2-yl)-4-(2,3-dimethoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1cccc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2nc3ccccc3[nH]2)c1OC
InChIInChI=1S/C25H22N4O3/c1-31-19-14-8-11-16(23(19)32-2)22-20(24-26-17-12-6-7-13-18(17)27-24)21(28-25(30)29-22)15-9-4-3-5-10-15/h3-14,22H,1-2H3,(H,26,27)(H2,28,29,30)/t22-/m0/s1
InChIKeyILOIDGOPALRPSO-QFIPXVFZSA-N
MW426.48 g/mol
LogP4.50
Rot. Bonds5

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

(4R)-5-(1H-benzimidazol-2-yl)-4-(2,3-dimethoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 136906278) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is (4R)-5-(1H-benzimidazol-2-yl)-4-(2,3-dimethoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name(4R)-5-(1H-benzimidazol-2-yl)-4-(2,3-dimethoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID136906278
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name(4R)-5-(1H-benzimidazol-2-yl)-4-(2,3-dimethoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCOc1cccc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2nc3ccccc3[nH]2)c1OC
InChIInChI=1S/C25H22N4O3/c1-31-19-14-8-11-16(23(19)32-2)22-20(24-26-17-12-6-7-13-18(17)27-24)21(28-25(30)29-22)15-9-4-3-5-10-15/h3-14,22H,1-2H3,(H,26,27)(H2,28,29,30)/t22-/m0/s1
InChIKeyILOIDGOPALRPSO-QFIPXVFZSA-N
XLogP4.50
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-(1H-benzimidazol-2-yl)-6-phenyl-4-pyridin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 136810396
5-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 4535425
(4R)-5-(1H-benzimidazol-2-yl)-6-(3-chlorophenyl)-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione
CID 136767133
methyl 4-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846438
methyl 4-naphthalen-1-yl-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110842756
2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole
CID 168555188
2-(3-fluoro-4,5-dimethoxyphenyl)-1H-benzimidazole
CID 168555207
ethyl (4R)-4-(2,3-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 818245
(4S)-1-(1H-benzimidazol-2-yl)-4-(2,3-dimethoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135930905
methyl 6-(4-methoxyphenyl)-4-(3-methoxy-2-propoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843558
4-(2,3-dimethoxyphenyl)-6-propyl-1,3,4,7-tetrahydropyrrolo[3,4-d]pyrimidine-2,5-dione
CID 18580736

Frequently Asked Questions

What is the IUPAC name of (4R)-5-(1H-benzimidazol-2-yl)-4-(2,3-dimethoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of (4R)-5-(1H-benzimidazol-2-yl)-4-(2,3-dimethoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 136906278) is (4R)-5-(1H-benzimidazol-2-yl)-4-(2,3-dimethoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for (4R)-5-(1H-benzimidazol-2-yl)-4-(2,3-dimethoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for (4R)-5-(1H-benzimidazol-2-yl)-4-(2,3-dimethoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one is COc1cccc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2nc3ccccc3[nH]2)c1OC.
What is the InChIKey of (4R)-5-(1H-benzimidazol-2-yl)-4-(2,3-dimethoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is ILOIDGOPALRPSO-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-31-19-14-8-11-16(23(19)32-2)22-20(24-26-17-12-6-7-13-18(17)27-24)21(28-25(30)29-22)15-9-4-3-5-10-15/h3-14,22H,1-2H3,(H,26,27)(H2,28,29,30)/t22-/m0/s1.
What are the key properties of (4R)-5-(1H-benzimidazol-2-yl)-4-(2,3-dimethoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
(4R)-5-(1H-benzimidazol-2-yl)-4-(2,3-dimethoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 426.48 g/mol, XLogP of 4.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(1H-benzimidazol-2-yl)-4-(2,3-dimethoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 136906278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).