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

C23H17FN4O — CID 136810404

IUPAC(4S)-5-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@H](c2ccc(F)cc2)N1
InChIInChI=1S/C23H17FN4O/c24-16-12-10-15(11-13-16)21-19(22-25-17-8-4-5-9-18(17)26-22)20(27-23(29)28-21)14-6-2-1-3-7-14/h1-13,21H,(H,25,26)(H2,27,28,29)/t21-/m0/s1
InChIKeyQCCRBBGYWXORFX-NRFANRHFSA-N
MW384.41 g/mol
LogP4.62
Rot. Bonds3

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

(4S)-5-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 136810404) has the molecular formula C23H17FN4O and a molecular weight of 384.41 g/mol. Its IUPAC name is (4S)-5-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name(4S)-5-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID136810404
Molecular FormulaC23H17FN4O
Molecular Weight384.41 g/mol
Exact Mass384.14
IUPAC Name(4S)-5-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESO=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@H](c2ccc(F)cc2)N1
InChIInChI=1S/C23H17FN4O/c24-16-12-10-15(11-13-16)21-19(22-25-17-8-4-5-9-18(17)26-22)20(27-23(29)28-21)14-6-2-1-3-7-14/h1-13,21H,(H,25,26)(H2,27,28,29)/t21-/m0/s1
InChIKeyQCCRBBGYWXORFX-NRFANRHFSA-N
XLogP4.62
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 54.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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-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
(4S)-4,6-diphenyl-5-quinolin-2-yl-3,4-dihydro-1H-pyrimidin-2-one
CID 7745751
(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
(4S)-5-(1,3-benzothiazol-2-yl)-4-(4-hydroxyphenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 135594475
(4R)-5-(1H-benzimidazol-2-yl)-6-(3-chlorophenyl)-4-(4-methoxyphenyl)-3,4-dihydro-1H-pyrimidine-2-thione
CID 136767133
(4S)-5-(1,3-benzothiazol-2-yl)-4-[4-(difluoromethoxy)phenyl]-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one
CID 135907264
2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
azane;2-phenyl-1H-benzimidazole
CID 172858780

Frequently Asked Questions

What is the IUPAC name of (4S)-5-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of (4S)-5-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one (CID 136810404) is (4S)-5-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for (4S)-5-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for (4S)-5-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one is O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@H](c2ccc(F)cc2)N1.
What is the InChIKey of (4S)-5-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is QCCRBBGYWXORFX-NRFANRHFSA-N. The full InChI is InChI=1S/C23H17FN4O/c24-16-12-10-15(11-13-16)21-19(22-25-17-8-4-5-9-18(17)26-22)20(27-23(29)28-21)14-6-2-1-3-7-14/h1-13,21H,(H,25,26)(H2,27,28,29)/t21-/m0/s1.
What are the key properties of (4S)-5-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one?
(4S)-5-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 384.41 g/mol, XLogP of 4.62, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)-6-phenyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 136810404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).