(6S)-6-(2-chloro-6-fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

C20H13ClFN3 — CID 135562411

IUPAC(6S)-6-(2-chloro-6-fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESFc1cccc(Cl)c1[C@H]1Nc2ccccc2-c2nc3ccccc3n21
InChIInChI=1S/C20H13ClFN3/c21-13-7-5-8-14(22)18(13)20-23-15-9-2-1-6-12(15)19-24-16-10-3-4-11-17(16)25(19)20/h1-11,20,23H/t20-/m0/s1
InChIKeyUTNURPZEGNYAIB-FQEVSTJZSA-N
MW349.80 g/mol
LogP5.47
Rot. Bonds1

About (6S)-6-(2-chloro-6-fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline

(6S)-6-(2-chloro-6-fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (PubChem CID 135562411) has the molecular formula C20H13ClFN3 and a molecular weight of 349.80 g/mol. Its IUPAC name is (6S)-6-(2-chloro-6-fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name(6S)-6-(2-chloro-6-fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
PubChem CID135562411
Molecular FormulaC20H13ClFN3
Molecular Weight349.80 g/mol
Exact Mass349.08
IUPAC Name(6S)-6-(2-chloro-6-fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
SMILESFc1cccc(Cl)c1[C@H]1Nc2ccccc2-c2nc3ccccc3n21
InChIInChI=1S/C20H13ClFN3/c21-13-7-5-8-14(22)18(13)20-23-15-9-2-1-6-12(15)19-24-16-10-3-4-11-17(16)25(19)20/h1-11,20,23H/t20-/m0/s1
InChIKeyUTNURPZEGNYAIB-FQEVSTJZSA-N
XLogP5.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.80
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-6-phenyl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 731211
(6S)-6-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 135562407
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
3-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol
CID 3664354
(6S)-6-(4-methylsulfanylphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 135874224
(6R)-6-(2-chloroimidazo[1,2-a]pyridin-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 135726001
6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 136931573
ethane;6-pyren-1-yl-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 143486448
4-chloro-2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-6-nitrophenol
CID 135874270
(6R)-6-(4-nitrophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 752491

Frequently Asked Questions

What is the IUPAC name of (6S)-6-(2-chloro-6-fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The IUPAC name of (6S)-6-(2-chloro-6-fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline (CID 135562411) is (6S)-6-(2-chloro-6-fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for (6S)-6-(2-chloro-6-fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The canonical SMILES for (6S)-6-(2-chloro-6-fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is Fc1cccc(Cl)c1[C@H]1Nc2ccccc2-c2nc3ccccc3n21.
What is the InChIKey of (6S)-6-(2-chloro-6-fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
The InChIKey is UTNURPZEGNYAIB-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H13ClFN3/c21-13-7-5-8-14(22)18(13)20-23-15-9-2-1-6-12(15)19-24-16-10-3-4-11-17(16)25(19)20/h1-11,20,23H/t20-/m0/s1.
What are the key properties of (6S)-6-(2-chloro-6-fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline?
(6S)-6-(2-chloro-6-fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline has a molecular weight of 349.80 g/mol, XLogP of 5.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(2-chloro-6-fluorophenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 135562411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).