6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline

C19H19N3 — CID 70651848

IUPAC6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline
SMILESCc1ccc2c(c1)nc(C(C)(C)C)n1c3ccccc3nc21
InChIInChI=1S/C19H19N3/c1-12-9-10-13-15(11-12)21-18(19(2,3)4)22-16-8-6-5-7-14(16)20-17(13)22/h5-11H,1-4H3
InChIKeyWZZYDVGBZKTJTE-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.64
Rot. Bonds

About 6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline

6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline (PubChem CID 70651848) has the molecular formula C19H19N3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline.

Molecular Properties

Compound Name6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline
PubChem CID70651848
Molecular FormulaC19H19N3
Molecular Weight289.38 g/mol
Exact Mass289.16
IUPAC Name6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline
SMILESCc1ccc2c(c1)nc(C(C)(C)C)n1c3ccccc3nc21
InChIInChI=1S/C19H19N3/c1-12-9-10-13-15(11-12)21-18(19(2,3)4)22-16-8-6-5-7-14(16)20-17(13)22/h5-11H,1-4H3
InChIKeyWZZYDVGBZKTJTE-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

butane;6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;ethene
CID 145369484
6-tert-butyl-4-methylbenzimidazolo[1,2-c]quinazoline
CID 70652129
6-tert-butylbenzimidazolo[1,2-c]quinazoline;ethane;pent-2-ene
CID 144782045
ethane;4-methyl-14,21-diazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 145358346
3,6-ditert-butyl-9,10-dimethylbenzimidazolo[1,2-c]quinazoline
CID 70651033
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
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
5-methyl-9,12,14,21-tetrazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8,10,12,15,17,19-decaene
CID 70884397
3-methyl-5H-benzimidazolo[1,2-c]quinazolin-6-one
CID 146412286
6-tert-butyl-4-methyl-1H-benzimidazolo[1,2-c]quinazolin-1-ide;iridium
CID 140604497
3-tert-butylbenzimidazolo[2,1-f][1,6]naphthyridine
CID 70652136

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline?
The IUPAC name of 6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline (CID 70651848) is 6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline.
What is the SMILES notation for 6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline?
The canonical SMILES for 6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline is Cc1ccc2c(c1)nc(C(C)(C)C)n1c3ccccc3nc21.
What is the InChIKey of 6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline?
The InChIKey is WZZYDVGBZKTJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3/c1-12-9-10-13-15(11-12)21-18(19(2,3)4)22-16-8-6-5-7-14(16)20-17(13)22/h5-11H,1-4H3.
What are the key properties of 6-tert-butyl-3-methylbenzimidazolo[1,2-c]quinazoline?
6-tert-butyl-3-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-3-methylbenzimidazolo[1,2-c]quinazoline is sourced from PubChem (CID 70651848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).