butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene

C26H37N3 — CID 145369484

IUPACbutane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene
SMILESC=C.CC.CC(C)(C)c1nc2ccccc2c2nc3ccccc3n12.CCCC
InChIInChI=1S/C18H17N3.C4H10.C2H6.C2H4/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;1-3-4-2;2*1-2/h4-11H,1-3H3;3-4H2,1-2H3;1-2H3;1-2H2
InChIKeyBHFSOVYJHQDQPQ-UHFFFAOYSA-N
MW391.60 g/mol
LogP7.97
Rot. Bonds1

About butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene

butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene (PubChem CID 145369484) has the molecular formula C26H37N3 and a molecular weight of 391.60 g/mol. Its IUPAC name is butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene.

Molecular Properties

Compound Namebutane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene
PubChem CID145369484
Molecular FormulaC26H37N3
Molecular Weight391.60 g/mol
Exact Mass391.30
IUPAC Namebutane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene
SMILESC=C.CC.CC(C)(C)c1nc2ccccc2c2nc3ccccc3n12.CCCC
InChIInChI=1S/C18H17N3.C4H10.C2H6.C2H4/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;1-3-4-2;2*1-2/h4-11H,1-3H3;3-4H2,1-2H3;1-2H3;1-2H2
InChIKeyBHFSOVYJHQDQPQ-UHFFFAOYSA-N
XLogP7.97
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.60
LogP ≤ 57.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene
CID 144782045
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-(7-tert-butyl-9,9-diphenylfluoren-2-yl)benzimidazolo[1,2-c]quinazoline
CID 122593126
6-tert-butylbenzimidazolo[2,1-a]isoquinoline;ethane;pent-2-ene
CID 144642796
CID 158880912
CID 158880912
11-(2-methylpentan-2-yl)-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-decaene
CID 146426414

Frequently Asked Questions

What is the IUPAC name of butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene?
The IUPAC name of butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene (CID 145369484) is butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene.
What is the SMILES notation for butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene?
The canonical SMILES for butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene is C=C.CC.CC(C)(C)c1nc2ccccc2c2nc3ccccc3n12.CCCC.
What is the InChIKey of butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene?
The InChIKey is BHFSOVYJHQDQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3.C4H10.C2H6.C2H4/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;1-3-4-2;2*1-2/h4-11H,1-3H3;3-4H2,1-2H3;1-2H3;1-2H2.
What are the key properties of butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene?
butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene has a molecular weight of 391.60 g/mol, XLogP of 7.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene is sourced from PubChem (CID 145369484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).