butane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane

C30H49N3 — CID 144768129

IUPACbutane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane
SMILESCC.CC.CC.CCCC.Cc1cc2nc3c4ccccc4nc(C(C)(C)C)n3c2cc1C
InChIInChI=1S/C20H21N3.C4H10.3C2H6/c1-12-10-16-17(11-13(12)2)23-18(21-16)14-8-6-7-9-15(14)22-19(23)20(3,4)5;1-3-4-2;3*1-2/h6-11H,1-5H3;3-4H2,1-2H3;3*1-2H3
InChIKeyMMXJGVWQTBLEHJ-UHFFFAOYSA-N
MW451.74 g/mol
LogP9.84
Rot. Bonds1

About butane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane

butane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane (PubChem CID 144768129) has the molecular formula C30H49N3 and a molecular weight of 451.74 g/mol. Its IUPAC name is butane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane.

Molecular Properties

Compound Namebutane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane
PubChem CID144768129
Molecular FormulaC30H49N3
Molecular Weight451.74 g/mol
Exact Mass451.39
IUPAC Namebutane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane
SMILESCC.CC.CC.CCCC.Cc1cc2nc3c4ccccc4nc(C(C)(C)C)n3c2cc1C
InChIInChI=1S/C20H21N3.C4H10.3C2H6/c1-12-10-16-17(11-13(12)2)23-18(21-16)14-8-6-7-9-15(14)22-19(23)20(3,4)5;1-3-4-2;3*1-2/h6-11H,1-5H3;3-4H2,1-2H3;3*1-2H3
InChIKeyMMXJGVWQTBLEHJ-UHFFFAOYSA-N
XLogP9.84
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.74
LogP ≤ 59.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene
CID 145369484
3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline
CID 70651033
6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene
CID 144782045
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-3-methylbenzimidazolo[1,2-c]quinazoline
CID 70651848
6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline
CID 70652129
3-tert-butyl-9,10-dimethyl-6-phenylbenzimidazolo[2,1-f][1,6]naphthyridine
CID 89476295
10-(6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazolin-4-yl)-13,13-diphenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 158424097
20-tert-butyl-5,5,7,7-tetramethyl-1,11,19-triazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2(10),3,8,11,13,15,17,19-octaene;ethane;ethene;pentane;6-phenyl-N-(6-phenyl-2-pyridinyl)-N-(2,4,6-trimethylphenyl)pyridin-2-amine;platinum(2+)
CID 178110379
9,10-dimethyl-6-(2,4,6-trimethylphenyl)benzimidazolo[2,1-a]isoquinoline
CID 58517849
17-(6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazolin-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene-13,9'-fluorene]
CID 158516988
2-(2-tert-butyl-5,6-dimethylbenzimidazol-1-yl)ethanol
CID 82149314

Frequently Asked Questions

What is the IUPAC name of butane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane?
The IUPAC name of butane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane (CID 144768129) is butane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane.
What is the SMILES notation for butane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane?
The canonical SMILES for butane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane is CC.CC.CC.CCCC.Cc1cc2nc3c4ccccc4nc(C(C)(C)C)n3c2cc1C.
What is the InChIKey of butane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane?
The InChIKey is MMXJGVWQTBLEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3.C4H10.3C2H6/c1-12-10-16-17(11-13(12)2)23-18(21-16)14-8-6-7-9-15(14)22-19(23)20(3,4)5;1-3-4-2;3*1-2/h6-11H,1-5H3;3-4H2,1-2H3;3*1-2H3.
What are the key properties of butane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane?
butane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane has a molecular weight of 451.74 g/mol, XLogP of 9.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane is sourced from PubChem (CID 144768129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).