6-butyl-3-methylbenzimidazolo[1,2-a]quinazolin-5-one

C19H19N3O — CID 154711899

IUPAC6-butyl-3-methylbenzimidazolo[1,2-a]quinazolin-5-one
SMILESCCCCn1c(=O)c2cc(C)ccc2n2c3ccccc3nc12
InChIInChI=1S/C19H19N3O/c1-3-4-11-21-18(23)14-12-13(2)9-10-16(14)22-17-8-6-5-7-15(17)20-19(21)22/h5-10,12H,3-4,11H2,1-2H3
InChIKeyIUTNKHGYNQCYOM-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.91
Rot. Bonds3

About 6-butyl-3-methylbenzimidazolo[1,2-a]quinazolin-5-one

6-butyl-3-methylbenzimidazolo[1,2-a]quinazolin-5-one (PubChem CID 154711899) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 6-butyl-3-methylbenzimidazolo[1,2-a]quinazolin-5-one.

Molecular Properties

Compound Name6-butyl-3-methylbenzimidazolo[1,2-a]quinazolin-5-one
PubChem CID154711899
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name6-butyl-3-methylbenzimidazolo[1,2-a]quinazolin-5-one
SMILESCCCCn1c(=O)c2cc(C)ccc2n2c3ccccc3nc12
InChIInChI=1S/C19H19N3O/c1-3-4-11-21-18(23)14-12-13(2)9-10-16(14)22-17-8-6-5-7-15(17)20-19(21)22/h5-10,12H,3-4,11H2,1-2H3
InChIKeyIUTNKHGYNQCYOM-UHFFFAOYSA-N
XLogP3.91
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

14-butyl-3,14,16,23-tetrazahexacyclo[10.10.1.02,10.04,9.015,23.017,22]tricosa-1,3,5,7,9,11,15,17,19,21-decaen-13-one
CID 101398473
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
6-methylbenzimidazolo[1,2-a]quinazolin-5-one
CID 59232444
2-butyl-[1,2,4]thiadiazolo[4,5-a]benzimidazol-1-one
CID 13034031
1-hexadecyl-3-methylquinoxalin-2-one
CID 57358117
3-butyl-1-(furan-2-ylmethyl)-2-hydroxypyrimido[1,2-a]benzimidazol-4-one
CID 4905741
9-methyl-6-propylindolo[3,2-b]quinoxaline
CID 753381
1-butyl-3-[(Z)-2-hydroxy-2-phenylethenyl]quinoxalin-2-one
CID 162414456
2-amino-3-butylquinazolin-4-one
CID 71653207
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
9-(4-carbazol-9-ylbutyl)-3,6-dimethylcarbazole
CID 58771349
10-butyl-2-propylpyrimido[1,2-a]benzimidazol-4-one
CID 45031515

Frequently Asked Questions

What is the IUPAC name of 6-butyl-3-methylbenzimidazolo[1,2-a]quinazolin-5-one?
The IUPAC name of 6-butyl-3-methylbenzimidazolo[1,2-a]quinazolin-5-one (CID 154711899) is 6-butyl-3-methylbenzimidazolo[1,2-a]quinazolin-5-one.
What is the SMILES notation for 6-butyl-3-methylbenzimidazolo[1,2-a]quinazolin-5-one?
The canonical SMILES for 6-butyl-3-methylbenzimidazolo[1,2-a]quinazolin-5-one is CCCCn1c(=O)c2cc(C)ccc2n2c3ccccc3nc12.
What is the InChIKey of 6-butyl-3-methylbenzimidazolo[1,2-a]quinazolin-5-one?
The InChIKey is IUTNKHGYNQCYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-3-4-11-21-18(23)14-12-13(2)9-10-16(14)22-17-8-6-5-7-15(17)20-19(21)22/h5-10,12H,3-4,11H2,1-2H3.
What are the key properties of 6-butyl-3-methylbenzimidazolo[1,2-a]quinazolin-5-one?
6-butyl-3-methylbenzimidazolo[1,2-a]quinazolin-5-one has a molecular weight of 305.38 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3-methylbenzimidazolo[1,2-a]quinazolin-5-one is sourced from PubChem (CID 154711899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).