5-[(6S)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-2-methoxyphenol

C21H17N3O2 — CID 135904843

IUPAC5-[(6S)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-2-methoxyphenol
SMILESCOc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1O
InChIInChI=1S/C21H17N3O2/c1-26-19-11-10-13(12-18(19)25)20-22-15-7-3-2-6-14(15)21-23-16-8-4-5-9-17(16)24(20)21/h2-12,20,22,25H,1H3/t20-/m0/s1
InChIKeyTUDADWWUHUODCR-FQEVSTJZSA-N
MW343.39 g/mol
LogP4.39
Rot. Bonds2

About 5-[(6S)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-2-methoxyphenol

5-[(6S)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-2-methoxyphenol (PubChem CID 135904843) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 5-[(6S)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-2-methoxyphenol.

Molecular Properties

Compound Name5-[(6S)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-2-methoxyphenol
PubChem CID135904843
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name5-[(6S)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-2-methoxyphenol
SMILESCOc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1O
InChIInChI=1S/C21H17N3O2/c1-26-19-11-10-13(12-18(19)25)20-22-15-7-3-2-6-14(15)21-23-16-8-4-5-9-17(16)24(20)21/h2-12,20,22,25H,1H3/t20-/m0/s1
InChIKeyTUDADWWUHUODCR-FQEVSTJZSA-N
XLogP4.39
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol
CID 3664354
(6S)-6-phenyl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 731211
2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol
CID 5193552
(6S)-6-(4-methylsulfanylphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 135874224
(6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 752491
5-(2-amino-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-yl)-2-methoxyphenol
CID 135645514
(6S)-6-(2,5-dimethyl-1-phenylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 135904837
(2R)-2-(3-hydroxy-4-methoxyphenyl)-3-(2-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 9007456
(6R)-6-pyridin-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 733578
1-[(4S)-4-(3-hydroxy-4-methoxyphenyl)-2-methyl-1,4-dihydropyrimido[1,2-a]benzimidazol-3-yl]ethanone
CID 42536732
6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 136931573
2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)-4-nitrophenol
CID 3956379

Frequently Asked Questions

What is the IUPAC name of 5-[(6S)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-2-methoxyphenol?
The IUPAC name of 5-[(6S)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-2-methoxyphenol (CID 135904843) is 5-[(6S)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-2-methoxyphenol.
What is the SMILES notation for 5-[(6S)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-2-methoxyphenol?
The canonical SMILES for 5-[(6S)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-2-methoxyphenol is COc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1O.
What is the InChIKey of 5-[(6S)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-2-methoxyphenol?
The InChIKey is TUDADWWUHUODCR-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-26-19-11-10-13(12-18(19)25)20-22-15-7-3-2-6-14(15)21-23-16-8-4-5-9-17(16)24(20)21/h2-12,20,22,25H,1H3/t20-/m0/s1.
What are the key properties of 5-[(6S)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-2-methoxyphenol?
5-[(6S)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-2-methoxyphenol has a molecular weight of 343.39 g/mol, XLogP of 4.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6S)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-2-methoxyphenol is sourced from PubChem (CID 135904843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).