2-[(4S)-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl]phenol

C22H17N3O — CID 947025

IUPAC2-[(4S)-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl]phenol
SMILESOc1ccccc1C1=Nc2nc3ccccc3n2[C@H](c2ccccc2)C1
InChIInChI=1S/C22H17N3O/c26-21-13-7-4-10-16(21)18-14-20(15-8-2-1-3-9-15)25-19-12-6-5-11-17(19)23-22(25)24-18/h1-13,20,26H,14H2/t20-/m0/s1
InChIKeyANQWQLGUIIXYDF-FQEVSTJZSA-N
MW339.40 g/mol
LogP4.86
Rot. Bonds2

About 2-[(4S)-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl]phenol

2-[(4S)-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl]phenol (PubChem CID 947025) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[(4S)-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-[(4S)-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl]phenol
PubChem CID947025
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name2-[(4S)-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl]phenol
SMILESOc1ccccc1C1=Nc2nc3ccccc3n2[C@H](c2ccccc2)C1
InChIInChI=1S/C22H17N3O/c26-21-13-7-4-10-16(21)18-14-20(15-8-2-1-3-9-15)25-19-12-6-5-11-17(19)23-22(25)24-18/h1-13,20,26H,14H2/t20-/m0/s1
InChIKeyANQWQLGUIIXYDF-FQEVSTJZSA-N
XLogP4.86
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazole
CID 15111818
2-[(3R)-2,3-diphenyl-3,4-dihydropyrazol-5-yl]phenol
CID 135772224
2-[(7R)-7-(4-chlorophenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]phenol
CID 678873
2-phenyl-3,10,12-triazapentacyclo[11.9.0.03,11.04,9.014,19]docosa-4,6,8,10,12,14,16,18-octaene
CID 15111837
(2-chlorophenyl)-[(3S)-5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 136790920
2-[2-(benzenesulfonyl)-3-(4-hydroxyphenyl)-3,4-dihydropyrazol-5-yl]phenol
CID 135971401
(E)-1-[(3S)-5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-3-phenylprop-2-en-1-one
CID 1405659
2-ethyl-1-[5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]butan-1-one
CID 135895421
2-(5-phenyl-4,5-dihydro-1H-pyrazol-3-yl)phenol
CID 3830634
(6S)-6-phenyl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 731211
2-(1-methylbenzimidazol-2-yl)phenol
CID 139198195
[(3S)-3-(4-bromophenyl)-5-(2-hydroxyphenyl)-3,4-dihydropyrazol-2-yl]-phenylmethanone
CID 1399287

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl]phenol?
The IUPAC name of 2-[(4S)-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl]phenol (CID 947025) is 2-[(4S)-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl]phenol.
What is the SMILES notation for 2-[(4S)-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl]phenol?
The canonical SMILES for 2-[(4S)-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl]phenol is Oc1ccccc1C1=Nc2nc3ccccc3n2[C@H](c2ccccc2)C1.
What is the InChIKey of 2-[(4S)-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl]phenol?
The InChIKey is ANQWQLGUIIXYDF-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H17N3O/c26-21-13-7-4-10-16(21)18-14-20(15-8-2-1-3-9-15)25-19-12-6-5-11-17(19)23-22(25)24-18/h1-13,20,26H,14H2/t20-/m0/s1.
What are the key properties of 2-[(4S)-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl]phenol?
2-[(4S)-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl]phenol has a molecular weight of 339.40 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazol-2-yl]phenol is sourced from PubChem (CID 947025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).