6-[2-(5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzimidazolo[1,2-c]quinazoline

C24H23N3 — CID 70651162

IUPAC6-[2-(5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzimidazolo[1,2-c]quinazoline
SMILESCC1C=CC=C(C(C)(C)c2nc3ccccc3c3nc4ccccc4n23)C1
InChIInChI=1S/C24H23N3/c1-16-9-8-10-17(15-16)24(2,3)23-26-19-12-5-4-11-18(19)22-25-20-13-6-7-14-21(20)27(22)23/h4-14,16H,15H2,1-3H3
InChIKeyZRTMMPJKYKVDTL-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.84
Rot. Bonds2

About 6-[2-(5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzimidazolo[1,2-c]quinazoline

6-[2-(5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzimidazolo[1,2-c]quinazoline (PubChem CID 70651162) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-[2-(5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-[2-(5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzimidazolo[1,2-c]quinazoline
PubChem CID70651162
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC Name6-[2-(5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzimidazolo[1,2-c]quinazoline
SMILESCC1C=CC=C(C(C)(C)c2nc3ccccc3c3nc4ccccc4n23)C1
InChIInChI=1S/C24H23N3/c1-16-9-8-10-17(15-16)24(2,3)23-26-19-12-5-4-11-18(19)22-25-20-13-6-7-14-21(20)27(22)23/h4-14,16H,15H2,1-3H3
InChIKeyZRTMMPJKYKVDTL-UHFFFAOYSA-N
XLogP5.84
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[2-(5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzimidazolo[1,2-c]quinazoline with MolForge

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Related Compounds

butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene
CID 145369484
6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene
CID 144782045
6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline
CID 70651848
6-cyclopropylbenzimidazolo[1,2-c]quinazoline
CID 70651535
6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline
CID 70652129
10-[2-[3,5-bis[2-(6-tert-butylbenzimidazolo[1,2-c]quinazolin-10-yl)phenyl]phenyl]phenyl]-6-tert-butylbenzimidazolo[1,2-c]quinazoline
CID 134191334
6-(1-bicyclo[2.2.1]heptanyl)benzimidazolo[1,2-c]quinazoline
CID 70651167
1-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-dimethylmethanamine
CID 15622179
butane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane
CID 144768129
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium
CID 140604455
6-[2-(4-tert-butylphenyl)carbazol-9-yl]benzimidazolo[1,2-c]quinazoline
CID 134509139

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-[2-(5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzimidazolo[1,2-c]quinazoline (CID 70651162) is 6-[2-(5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-[2-(5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-[2-(5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzimidazolo[1,2-c]quinazoline is CC1C=CC=C(C(C)(C)c2nc3ccccc3c3nc4ccccc4n23)C1.
What is the InChIKey of 6-[2-(5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzimidazolo[1,2-c]quinazoline?
The InChIKey is ZRTMMPJKYKVDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c1-16-9-8-10-17(15-16)24(2,3)23-26-19-12-5-4-11-18(19)22-25-20-13-6-7-14-21(20)27(22)23/h4-14,16H,15H2,1-3H3.
What are the key properties of 6-[2-(5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzimidazolo[1,2-c]quinazoline?
6-[2-(5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzimidazolo[1,2-c]quinazoline has a molecular weight of 353.47 g/mol, XLogP of 5.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 70651162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).