6-(1-bicyclo[2.2.1]heptanyl)benzimidazolo[1,2-c]quinazoline

C21H19N3 — CID 70651167

IUPAC6-(1-bicyclo[2.2.1]heptanyl)benzimidazolo[1,2-c]quinazoline
SMILESc1ccc2c(c1)nc(C13CCC(CC1)C3)n1c3ccccc3nc21
InChIInChI=1S/C21H19N3/c1-2-6-16-15(5-1)19-22-17-7-3-4-8-18(17)24(19)20(23-16)21-11-9-14(13-21)10-12-21/h1-8,14H,9-13H2
InChIKeyIWLIAISVSRCSON-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.87
Rot. Bonds1

About 6-(1-bicyclo[2.2.1]heptanyl)benzimidazolo[1,2-c]quinazoline

6-(1-bicyclo[2.2.1]heptanyl)benzimidazolo[1,2-c]quinazoline (PubChem CID 70651167) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 6-(1-bicyclo[2.2.1]heptanyl)benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-(1-bicyclo[2.2.1]heptanyl)benzimidazolo[1,2-c]quinazoline
PubChem CID70651167
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name6-(1-bicyclo[2.2.1]heptanyl)benzimidazolo[1,2-c]quinazoline
SMILESc1ccc2c(c1)nc(C13CCC(CC1)C3)n1c3ccccc3nc21
InChIInChI=1S/C21H19N3/c1-2-6-16-15(5-1)19-22-17-7-3-4-8-18(17)24(19)20(23-16)21-11-9-14(13-21)10-12-21/h1-8,14H,9-13H2
InChIKeyIWLIAISVSRCSON-UHFFFAOYSA-N
XLogP4.87
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-cyclopropylbenzimidazolo[1,2-c]quinazoline
CID 70651535
6-(3,5-diphenylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652103
6-[4-(10-methylanthracen-9-yl)phenyl]benzimidazolo[1,2-c]quinazoline
CID 143486488
6-[3-[3,5-bis[3-(benzimidazolo[1,2-c]quinazolin-6-yl)phenyl]phenyl]phenyl]benzimidazolo[1,2-c]quinazoline
CID 58894944
1-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-dimethylmethanamine
CID 15622179
14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2,4,6,8(13),9,11,15,17,19-decaen-9-ol
CID 146639537
3-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)oxolan-2-one
CID 42898564
6-cyclohexylbenzimidazolo[2,1-f][1,6]naphthyridine
CID 62707657
6-(2-phenoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 70651031
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
6-[[(2S)-oxan-2-yl]methylsulfanyl]benzimidazolo[1,2-c]quinazoline
CID 7149454
6-[2-(5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzimidazolo[1,2-c]quinazoline
CID 70651162

Frequently Asked Questions

What is the IUPAC name of 6-(1-bicyclo[2.2.1]heptanyl)benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-(1-bicyclo[2.2.1]heptanyl)benzimidazolo[1,2-c]quinazoline (CID 70651167) is 6-(1-bicyclo[2.2.1]heptanyl)benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-(1-bicyclo[2.2.1]heptanyl)benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-(1-bicyclo[2.2.1]heptanyl)benzimidazolo[1,2-c]quinazoline is c1ccc2c(c1)nc(C13CCC(CC1)C3)n1c3ccccc3nc21.
What is the InChIKey of 6-(1-bicyclo[2.2.1]heptanyl)benzimidazolo[1,2-c]quinazoline?
The InChIKey is IWLIAISVSRCSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c1-2-6-16-15(5-1)19-22-17-7-3-4-8-18(17)24(19)20(23-16)21-11-9-14(13-21)10-12-21/h1-8,14H,9-13H2.
What are the key properties of 6-(1-bicyclo[2.2.1]heptanyl)benzimidazolo[1,2-c]quinazoline?
6-(1-bicyclo[2.2.1]heptanyl)benzimidazolo[1,2-c]quinazoline has a molecular weight of 313.40 g/mol, XLogP of 4.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-bicyclo[2.2.1]heptanyl)benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 70651167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).