(6S)-6-(2,4-dipropoxyphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

C26H27N3O2 — CID 135952089

IUPAC(6S)-6-(2,4-dipropoxyphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESCCCOc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c(OCCC)c1
InChIInChI=1S/C26H27N3O2/c1-3-15-30-18-13-14-20(24(17-18)31-16-4-2)26-27-21-10-6-5-9-19(21)25-28-22-11-7-8-12-23(22)29(25)26/h5-14,17,26-27H,3-4,15-16H2,1-2H3/t26-/m0/s1
InChIKeyUKRPUYHMTKWEBY-SANMLTNESA-N
MW413.52 g/mol
LogP6.25
Rot. Bonds7

About (6S)-6-(2,4-dipropoxyphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

(6S)-6-(2,4-dipropoxyphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (PubChem CID 135952089) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is (6S)-6-(2,4-dipropoxyphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name(6S)-6-(2,4-dipropoxyphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
PubChem CID135952089
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name(6S)-6-(2,4-dipropoxyphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESCCCOc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c(OCCC)c1
InChIInChI=1S/C26H27N3O2/c1-3-15-30-18-13-14-20(24(17-18)31-16-4-2)26-27-21-10-6-5-9-19(21)25-28-22-11-7-8-12-23(22)29(25)26/h5-14,17,26-27H,3-4,15-16H2,1-2H3/t26-/m0/s1
InChIKeyUKRPUYHMTKWEBY-SANMLTNESA-N
XLogP6.25
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol
CID 5193552
6-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 3904936
ethane;6-pyren-1-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 143486448
(6S)-6-phenyl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 731211
(6R)-6-pyridin-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 733578
(6S)-6-(2,5-dimethyl-1-phenylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 135904837
3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol
CID 3664354
5-[(6S)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-2-methoxyphenol
CID 135904843
6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 136931573
(6S)-6-(2-chloro-6-fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 135562411
(6S)-6-(4-methylsulfanylphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 135874224
ethyl 1-[2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]phenyl]piperidine-4-carboxylate
CID 136795109

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2,4-dipropoxyphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The IUPAC name of (6S)-6-(2,4-dipropoxyphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (CID 135952089) is (6S)-6-(2,4-dipropoxyphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for (6S)-6-(2,4-dipropoxyphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The canonical SMILES for (6S)-6-(2,4-dipropoxyphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is CCCOc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c(OCCC)c1.
What is the InChIKey of (6S)-6-(2,4-dipropoxyphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The InChIKey is UKRPUYHMTKWEBY-SANMLTNESA-N. The full InChI is InChI=1S/C26H27N3O2/c1-3-15-30-18-13-14-20(24(17-18)31-16-4-2)26-27-21-10-6-5-9-19(21)25-28-22-11-7-8-12-23(22)29(25)26/h5-14,17,26-27H,3-4,15-16H2,1-2H3/t26-/m0/s1.
What are the key properties of (6S)-6-(2,4-dipropoxyphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
(6S)-6-(2,4-dipropoxyphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline has a molecular weight of 413.52 g/mol, XLogP of 6.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2,4-dipropoxyphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 135952089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).