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

C21H17N3S — CID 135874224

IUPAC(6S)-6-(4-methylsulfanylphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESCSc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1
InChIInChI=1S/C21H17N3S/c1-25-15-12-10-14(11-13-15)20-22-17-7-3-2-6-16(17)21-23-18-8-4-5-9-19(18)24(20)21/h2-13,20,22H,1H3/t20-/m0/s1
InChIKeyCRGKVDGJASZMOX-FQEVSTJZSA-N
MW343.46 g/mol
LogP5.40
Rot. Bonds2

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

(6S)-6-(4-methylsulfanylphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (PubChem CID 135874224) has the molecular formula C21H17N3S and a molecular weight of 343.46 g/mol. Its IUPAC name is (6S)-6-(4-methylsulfanylphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name(6S)-6-(4-methylsulfanylphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
PubChem CID135874224
Molecular FormulaC21H17N3S
Molecular Weight343.46 g/mol
Exact Mass343.11
IUPAC Name(6S)-6-(4-methylsulfanylphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESCSc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1
InChIInChI=1S/C21H17N3S/c1-25-15-12-10-14(11-13-15)20-22-17-7-3-2-6-16(17)21-23-18-8-4-5-9-19(18)24(20)21/h2-13,20,22H,1H3/t20-/m0/s1
InChIKeyCRGKVDGJASZMOX-FQEVSTJZSA-N
XLogP5.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.46
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6S)-6-phenyl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 731211
(6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 752491
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
2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol
CID 5193552
(6R)-6-pyridin-2-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 733578
2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]aniline
CID 139076751
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
ethane;6-pyren-1-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 143486448
6-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 3904936
(6R)-6-(2-chloroimidazo[1,2-a]pyridin-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 135726001

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(4-methylsulfanylphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The IUPAC name of (6S)-6-(4-methylsulfanylphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (CID 135874224) is (6S)-6-(4-methylsulfanylphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for (6S)-6-(4-methylsulfanylphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The canonical SMILES for (6S)-6-(4-methylsulfanylphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is CSc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1.
What is the InChIKey of (6S)-6-(4-methylsulfanylphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The InChIKey is CRGKVDGJASZMOX-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H17N3S/c1-25-15-12-10-14(11-13-15)20-22-17-7-3-2-6-16(17)21-23-18-8-4-5-9-19(18)24(20)21/h2-13,20,22H,1H3/t20-/m0/s1.
What are the key properties of (6S)-6-(4-methylsulfanylphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
(6S)-6-(4-methylsulfanylphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline has a molecular weight of 343.46 g/mol, XLogP of 5.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(4-methylsulfanylphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 135874224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).