10-butyl-2-propylpyrimido[1,2-a]benzimidazol-4-one

C17H21N3O — CID 45031515

IUPAC10-butyl-2-propylpyrimido[1,2-a]benzimidazol-4-one
SMILESCCCCn1c2ccccc2n2c(=O)cc(CCC)nc12
InChIInChI=1S/C17H21N3O/c1-3-5-11-19-14-9-6-7-10-15(14)20-16(21)12-13(8-4-2)18-17(19)20/h6-7,9-10,12H,3-5,8,11H2,1-2H3
InChIKeyUWIDFMIMKPZHDX-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.40
Rot. Bonds5

About 10-butyl-2-propylpyrimido[1,2-a]benzimidazol-4-one

10-butyl-2-propylpyrimido[1,2-a]benzimidazol-4-one (PubChem CID 45031515) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 10-butyl-2-propylpyrimido[1,2-a]benzimidazol-4-one.

Molecular Properties

Compound Name10-butyl-2-propylpyrimido[1,2-a]benzimidazol-4-one
PubChem CID45031515
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name10-butyl-2-propylpyrimido[1,2-a]benzimidazol-4-one
SMILESCCCCn1c2ccccc2n2c(=O)cc(CCC)nc12
InChIInChI=1S/C17H21N3O/c1-3-5-11-19-14-9-6-7-10-15(14)20-16(21)12-13(8-4-2)18-17(19)20/h6-7,9-10,12H,3-5,8,11H2,1-2H3
InChIKeyUWIDFMIMKPZHDX-UHFFFAOYSA-N
XLogP3.40
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 10-butyl-2-propylpyrimido[1,2-a]benzimidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-butyl-2-methylimidazo[1,2-a]benzimidazole-1-carboxylate
CID 2858506
(4-butyl-2-methylimidazo[1,2-a]benzimidazol-1-yl)-thiophen-2-ylmethanone
CID 2859585
6-butyl-3-methylbenzimidazolo[1,2-a]quinazolin-5-one
CID 154711899
4-(3-methoxypropyl)-1-propyl-[1,2,4]triazolo[4,3-a]benzimidazole
CID 21478631
6-[3-(diethylamino)propyl]benzimidazolo[2,1-b]quinazolin-12-one
CID 10936974
4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride
CID 52994899
10-[(2-fluorophenyl)methyl]-2-methylpyrimido[1,2-a]benzimidazol-4-one
CID 45031572
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
1-butyl-3-methoxybenzimidazol-2-one
CID 162373122
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-4-(trifluoromethyl)quinolin-2-one
CID 91434703
1-decyl-3-methylbenzimidazol-2-one
CID 116621203

Frequently Asked Questions

What is the IUPAC name of 10-butyl-2-propylpyrimido[1,2-a]benzimidazol-4-one?
The IUPAC name of 10-butyl-2-propylpyrimido[1,2-a]benzimidazol-4-one (CID 45031515) is 10-butyl-2-propylpyrimido[1,2-a]benzimidazol-4-one.
What is the SMILES notation for 10-butyl-2-propylpyrimido[1,2-a]benzimidazol-4-one?
The canonical SMILES for 10-butyl-2-propylpyrimido[1,2-a]benzimidazol-4-one is CCCCn1c2ccccc2n2c(=O)cc(CCC)nc12.
What is the InChIKey of 10-butyl-2-propylpyrimido[1,2-a]benzimidazol-4-one?
The InChIKey is UWIDFMIMKPZHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-5-11-19-14-9-6-7-10-15(14)20-16(21)12-13(8-4-2)18-17(19)20/h6-7,9-10,12H,3-5,8,11H2,1-2H3.
What are the key properties of 10-butyl-2-propylpyrimido[1,2-a]benzimidazol-4-one?
10-butyl-2-propylpyrimido[1,2-a]benzimidazol-4-one has a molecular weight of 283.38 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-butyl-2-propylpyrimido[1,2-a]benzimidazol-4-one is sourced from PubChem (CID 45031515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).