6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene

C25H33N3 — CID 144782045

IUPAC6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene
SMILESCC.CC(C)(C)c1nc2ccccc2c2nc3ccccc3n12.CC=CCC
InChIInChI=1S/C18H17N3.C5H10.C2H6/c1-18(2,3)17-20-13-9-5-4-8-12(13)16-19-14-10-6-7-11-15(14)21(16)17;1-3-5-4-2;1-2/h4-11H,1-3H3;3,5H,4H2,1-2H3;1-2H3
InChIKeyDHLASIMRRMXDRG-UHFFFAOYSA-N
MW375.56 g/mol
LogP7.33
Rot. Bonds1

About 6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene

6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene (PubChem CID 144782045) has the molecular formula C25H33N3 and a molecular weight of 375.56 g/mol. Its IUPAC name is 6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene.

Molecular Properties

Compound Name6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene
PubChem CID144782045
Molecular FormulaC25H33N3
Molecular Weight375.56 g/mol
Exact Mass375.27
IUPAC Name6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene
SMILESCC.CC(C)(C)c1nc2ccccc2c2nc3ccccc3n12.CC=CCC
InChIInChI=1S/C18H17N3.C5H10.C2H6/c1-18(2,3)17-20-13-9-5-4-8-12(13)16-19-14-10-6-7-11-15(14)21(16)17;1-3-5-4-2;1-2/h4-11H,1-3H3;3,5H,4H2,1-2H3;1-2H3
InChIKeyDHLASIMRRMXDRG-UHFFFAOYSA-N
XLogP7.33
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.56
LogP ≤ 57.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene
CID 145369484
6-tert-butylbenzimidazolo[2,1-a]isoquinoline;ethane;pent-2-ene
CID 144642796
butane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane
CID 144768129
6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline
CID 70651848
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-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium
CID 140604455
6-[2-(5-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]benzimidazolo[1,2-c]quinazoline
CID 70651162
1-(benzimidazolo[1,2-c]quinazolin-6-yl)-N,N-dimethylmethanamine
CID 15622179
6-(4-methoxyphenyl)benzimidazolo[1,2-c]quinazoline
CID 12826322
2-[(5-tert-butyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
CID 3227409
6-(3,5-diphenylphenyl)benzimidazolo[1,2-c]quinazoline
CID 70652103

Frequently Asked Questions

What is the IUPAC name of 6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene?
The IUPAC name of 6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene (CID 144782045) is 6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene.
What is the SMILES notation for 6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene?
The canonical SMILES for 6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene is CC.CC(C)(C)c1nc2ccccc2c2nc3ccccc3n12.CC=CCC.
What is the InChIKey of 6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene?
The InChIKey is DHLASIMRRMXDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3.C5H10.C2H6/c1-18(2,3)17-20-13-9-5-4-8-12(13)16-19-14-10-6-7-11-15(14)21(16)17;1-3-5-4-2;1-2/h4-11H,1-3H3;3,5H,4H2,1-2H3;1-2H3.
What are the key properties of 6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene?
6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene has a molecular weight of 375.56 g/mol, XLogP of 7.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene is sourced from PubChem (CID 144782045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).