2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]aniline

C20H16N4 — CID 139076751

IUPAC2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]aniline
SMILESNc1ccccc1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21
InChIInChI=1S/C20H16N4/c21-15-9-3-1-7-13(15)19-22-16-10-4-2-8-14(16)20-23-17-11-5-6-12-18(17)24(19)20/h1-12,19,22H,21H2/t19-/m1/s1
InChIKeyOJJKGGOTPOCIEK-LJQANCHMSA-N
MW312.38 g/mol
LogP4.26
Rot. Bonds1

About 2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]aniline

2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]aniline (PubChem CID 139076751) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]aniline.

Molecular Properties

Compound Name2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]aniline
PubChem CID139076751
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]aniline
SMILESNc1ccccc1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21
InChIInChI=1S/C20H16N4/c21-15-9-3-1-7-13(15)19-22-16-10-4-2-8-14(16)20-23-17-11-5-6-12-18(17)24(19)20/h1-12,19,22H,21H2/t19-/m1/s1
InChIKeyOJJKGGOTPOCIEK-LJQANCHMSA-N
XLogP4.26
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl)phenol
CID 5193552
(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
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-(2,5-dimethyl-1-phenylpyrrol-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 135904837
6-(4,6-diphenylpyrimidin-2-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 136931573
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
(6S)-6-(2,4-dipropoxyphenyl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 135952089
(6R)-6-(2-chloroimidazo[1,2-a]pyridin-3-yl)-5,6-dihydrobenzimidazolo[1,2-c]quinazoline
CID 135726001
4-chloro-2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]-6-nitrophenol
CID 135874270

Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]aniline?
The IUPAC name of 2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]aniline (CID 139076751) is 2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]aniline.
What is the SMILES notation for 2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]aniline?
The canonical SMILES for 2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]aniline is Nc1ccccc1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21.
What is the InChIKey of 2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]aniline?
The InChIKey is OJJKGGOTPOCIEK-LJQANCHMSA-N. The full InChI is InChI=1S/C20H16N4/c21-15-9-3-1-7-13(15)19-22-16-10-4-2-8-14(16)20-23-17-11-5-6-12-18(17)24(19)20/h1-12,19,22H,21H2/t19-/m1/s1.
What are the key properties of 2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]aniline?
2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]aniline has a molecular weight of 312.38 g/mol, XLogP of 4.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-5,6-dihydrobenzimidazolo[1,2-c]quinazolin-6-yl]aniline is sourced from PubChem (CID 139076751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).