5-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydro-1H-pyrimidin-2-one

C23H16ClFN4O — CID 4535425

IUPAC5-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccc(Cl)cc2)=C(c2nc3ccccc3[nH]2)C(c2ccc(F)cc2)N1
InChIInChI=1S/C23H16ClFN4O/c24-15-9-5-13(6-10-15)20-19(22-26-17-3-1-2-4-18(17)27-22)21(29-23(30)28-20)14-7-11-16(25)12-8-14/h1-12,21H,(H,26,27)(H2,28,29,30)
InChIKeyFXSJEEQHTMCCRM-UHFFFAOYSA-N
MW418.86 g/mol
LogP5.28
Rot. Bonds3

About 5-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydro-1H-pyrimidin-2-one

5-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 4535425) has the molecular formula C23H16ClFN4O and a molecular weight of 418.86 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID4535425
Molecular FormulaC23H16ClFN4O
Molecular Weight418.86 g/mol
Exact Mass418.10
IUPAC Name5-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccc(Cl)cc2)=C(c2nc3ccccc3[nH]2)C(c2ccc(F)cc2)N1
InChIInChI=1S/C23H16ClFN4O/c24-15-9-5-13(6-10-15)20-19(22-26-17-3-1-2-4-18(17)27-22)21(29-23(30)28-20)14-7-11-16(25)12-8-14/h1-12,21H,(H,26,27)(H2,28,29,30)
InChIKeyFXSJEEQHTMCCRM-UHFFFAOYSA-N
XLogP5.28
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.86
LogP ≤ 55.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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
(4R)-4-(4-fluorophenyl)-6-phenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 7745784
(4R)-5-(1H-benzimidazol-2-yl)-4-(2,3-dimethoxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 136906278
5-(4-bromophenyl)-4,6-bis(4-chlorophenyl)-3,4-dihydro-1H-pyrimidin-2-one
CID 45112828
(4R)-5-(1H-benzimidazol-2-yl)-6-(3-chlorophenyl)-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione
CID 136767133
6-[4-(1H-benzimidazol-2-yl)phenyl]-2-(4-chlorophenyl)-1H-benzimidazole
CID 135280717
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
(4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 7745751
2-[4-(4-chlorophenyl)sulfinylphenyl]-1H-benzimidazole
CID 68842813
(4S)-5-(1,3-benzothiazol-2-yl)-6-phenyl-4-[4-(trifluoromethyl)phenyl]-3,4-dihydro-1H-pyrimidin-2-one
CID 135912698
(4R)-5-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 135594476

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydro-1H-pyrimidin-2-one (CID 4535425) is 5-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC(c2ccc(Cl)cc2)=C(c2nc3ccccc3[nH]2)C(c2ccc(F)cc2)N1.
What is the InChIKey of 5-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is FXSJEEQHTMCCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClFN4O/c24-15-9-5-13(6-10-15)20-19(22-26-17-3-1-2-4-18(17)27-22)21(29-23(30)28-20)14-7-11-16(25)12-8-14/h1-12,21H,(H,26,27)(H2,28,29,30).
What are the key properties of 5-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydro-1H-pyrimidin-2-one?
5-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 418.86 g/mol, XLogP of 5.28, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-4-(4-fluorophenyl)-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 4535425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).