3-(6H-benzimidazolo[1,2-c]quinazolin-5-yl)chromen-2-one

C23H15N3O2 — CID 123195137

IUPAC3-(6H-benzimidazolo[1,2-c]quinazolin-5-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1N1Cn2c(nc3ccccc32)-c2ccccc21
InChIInChI=1S/C23H15N3O2/c27-23-20(13-15-7-1-6-12-21(15)28-23)25-14-26-19-11-5-3-9-17(19)24-22(26)16-8-2-4-10-18(16)25/h1-13H,14H2
InChIKeyTXBFTIROTXQCJM-UHFFFAOYSA-N
MW365.39 g/mol
LogP4.92
Rot. Bonds1

About 3-(6H-benzimidazolo[1,2-c]quinazolin-5-yl)chromen-2-one

3-(6H-benzimidazolo[1,2-c]quinazolin-5-yl)chromen-2-one (PubChem CID 123195137) has the molecular formula C23H15N3O2 and a molecular weight of 365.39 g/mol. Its IUPAC name is 3-(6H-benzimidazolo[1,2-c]quinazolin-5-yl)chromen-2-one.

Molecular Properties

Compound Name3-(6H-benzimidazolo[1,2-c]quinazolin-5-yl)chromen-2-one
PubChem CID123195137
Molecular FormulaC23H15N3O2
Molecular Weight365.39 g/mol
Exact Mass365.12
IUPAC Name3-(6H-benzimidazolo[1,2-c]quinazolin-5-yl)chromen-2-one
SMILESO=c1oc2ccccc2cc1N1Cn2c(nc3ccccc32)-c2ccccc21
InChIInChI=1S/C23H15N3O2/c27-23-20(13-15-7-1-6-12-21(15)28-23)25-14-26-19-11-5-3-9-17(19)24-22(26)16-8-2-4-10-18(16)25/h1-13H,14H2
InChIKeyTXBFTIROTXQCJM-UHFFFAOYSA-N
XLogP4.92
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1-methylbenzimidazol-2-yl)chromen-2-one
CID 951231
2-(2-oxochromen-3-yl)-N-phenylbenzimidazole-1-carbothioamide
CID 155531934
5-[3-[3-(4-tert-butyl-2-pyridinyl)phenoxy]phenyl]-6H-benzimidazolo[1,2-c]quinazoline
CID 162771849
9-methyl-8,10,11,14,21-pentazapentacyclo[12.7.0.02,7.08,12.015,20]henicosa-1(21),2,4,6,9,11,15,17,19-nonaene
CID 10356714
(2-aminobenzimidazol-1-yl)-(1-benzofuran-2-yl)methanone
CID 112528084
3-(2-hydroxyphenyl)chromen-2-one
CID 819892
3-[6-(2-oxochromen-3-yl)hexyl]chromen-2-one
CID 132548906
7-(dimethylamino)-3-(1-methylbenzimidazol-2-yl)chromen-2-one
CID 87679527
5-[3-tert-butyl-5-(9-pyridin-2-ylcarbazol-2-yl)oxyphenyl]-6H-benzimidazolo[1,2-c]quinazoline
CID 162771936
2-dibenzofuran-4-yl-1-(3-methylnaphthalen-2-yl)benzimidazole
CID 167339079
3-trimethylsilylchromen-2-one
CID 71378789
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-oxochromene-3-carboxamide
CID 46514997

Frequently Asked Questions

What is the IUPAC name of 3-(6H-benzimidazolo[1,2-c]quinazolin-5-yl)chromen-2-one?
The IUPAC name of 3-(6H-benzimidazolo[1,2-c]quinazolin-5-yl)chromen-2-one (CID 123195137) is 3-(6H-benzimidazolo[1,2-c]quinazolin-5-yl)chromen-2-one.
What is the SMILES notation for 3-(6H-benzimidazolo[1,2-c]quinazolin-5-yl)chromen-2-one?
The canonical SMILES for 3-(6H-benzimidazolo[1,2-c]quinazolin-5-yl)chromen-2-one is O=c1oc2ccccc2cc1N1Cn2c(nc3ccccc32)-c2ccccc21.
What is the InChIKey of 3-(6H-benzimidazolo[1,2-c]quinazolin-5-yl)chromen-2-one?
The InChIKey is TXBFTIROTXQCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O2/c27-23-20(13-15-7-1-6-12-21(15)28-23)25-14-26-19-11-5-3-9-17(19)24-22(26)16-8-2-4-10-18(16)25/h1-13H,14H2.
What are the key properties of 3-(6H-benzimidazolo[1,2-c]quinazolin-5-yl)chromen-2-one?
3-(6H-benzimidazolo[1,2-c]quinazolin-5-yl)chromen-2-one has a molecular weight of 365.39 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6H-benzimidazolo[1,2-c]quinazolin-5-yl)chromen-2-one is sourced from PubChem (CID 123195137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).