6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline

C19H19N3 — CID 70652129

IUPAC6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline
SMILESCc1cccc2c1nc(C(C)(C)C)n1c3ccccc3nc21
InChIInChI=1S/C19H19N3/c1-12-8-7-9-13-16(12)21-18(19(2,3)4)22-15-11-6-5-10-14(15)20-17(13)22/h5-11H,1-4H3
InChIKeySPEUJBOPPJIIGH-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.64
Rot. Bonds

About 6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline

6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline (PubChem CID 70652129) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline
PubChem CID70652129
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline
SMILESCc1cccc2c1nc(C(C)(C)C)n1c3ccccc3nc21
InChIInChI=1S/C19H19N3/c1-12-8-7-9-13-16(12)21-18(19(2,3)4)22-15-11-6-5-10-14(15)20-17(13)22/h5-11H,1-4H3
InChIKeySPEUJBOPPJIIGH-UHFFFAOYSA-N
XLogP4.64
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butyl-4-methyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium
CID 140604497
6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline
CID 70651848
butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene
CID 145369484
5-(2,6-dimethylphenyl)-6,14,21-triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 118431332
6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene
CID 144782045
6-tert-butyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium
CID 140604455
butane;6-tert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline;ethane
CID 144768129
6,9,14-tritert-butyl-8,10,13,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2(7),3,5,8,11,13,15-octaene
CID 140607275
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
18-(2,6-dimethylphenyl)-2,9,17,19-tetrazahexacyclo[15.6.1.02,10.03,8.011,16.020,24]tetracosa-1(23),3,5,7,9,11,13,15,18,20(24),21-undecaene
CID 164734168
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
6-tert-butyl-9-[3-(3,5-diphenylphenyl)phenyl]-5,7,15-triazahexacyclo[17.2.2.02,18.04,16.05,14.08,13]tricosa-2,4(16),6,8(13),9,11,14,17-octaene
CID 140756513

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline (CID 70652129) is 6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline is Cc1cccc2c1nc(C(C)(C)C)n1c3ccccc3nc21.
What is the InChIKey of 6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline?
The InChIKey is SPEUJBOPPJIIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-12-8-7-9-13-16(12)21-18(19(2,3)4)22-15-11-6-5-10-14(15)20-17(13)22/h5-11H,1-4H3.
What are the key properties of 6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline?
6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline has a molecular weight of 289.38 g/mol, XLogP of 4.64, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 70652129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).