2-methyl-4-propylpyrimido[1,2-a]benzimidazole

C14H15N3 — CID 102439815

IUPAC2-methyl-4-propylpyrimido[1,2-a]benzimidazole
SMILESCCCc1cc(C)nc2nc3ccccc3n12
InChIInChI=1S/C14H15N3/c1-3-6-11-9-10(2)15-14-16-12-7-4-5-8-13(12)17(11)14/h4-5,7-9H,3,6H2,1-2H3
InChIKeyXRABLQDNNAEXRP-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.14
Rot. Bonds2

About 2-methyl-4-propylpyrimido[1,2-a]benzimidazole

2-methyl-4-propylpyrimido[1,2-a]benzimidazole (PubChem CID 102439815) has the molecular formula C14H15N3 and a molecular weight of 225.30 g/mol. Its IUPAC name is 2-methyl-4-propylpyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-methyl-4-propylpyrimido[1,2-a]benzimidazole
PubChem CID102439815
Molecular FormulaC14H15N3
Molecular Weight225.30 g/mol
Exact Mass225.13
IUPAC Name2-methyl-4-propylpyrimido[1,2-a]benzimidazole
SMILESCCCc1cc(C)nc2nc3ccccc3n12
InChIInChI=1S/C14H15N3/c1-3-6-11-9-10(2)15-14-16-12-7-4-5-8-13(12)17(11)14/h4-5,7-9H,3,6H2,1-2H3
InChIKeyXRABLQDNNAEXRP-UHFFFAOYSA-N
XLogP3.14
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-1-propylimidazo[1,5-a]quinoxaline
CID 42629095
4-ethyl-2-(4-methylphenyl)-[1,3,5]triazino[1,2-a]benzimidazole
CID 14245741
1-methyl-2-propylindole
CID 13170349
1-[(4-methylphenyl)methyl]-2-propylbenzimidazole
CID 884778
12-butyl-3,4-dihydro-2H-benzimidazolo[2,1-b]quinazolin-1-one
CID 16726123
2-(4-cyano-3-propylpyrido[1,2-a]benzimidazol-1-yl)sulfanylacetate
CID 6984555
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
2-pentylpyrimido[1,2-a]benzimidazole
CID 67303420
13,14,27,28-tetraoctyl-3,10,17,24-tetrazaoctacyclo[13.13.2.02,10.04,9.012,29.016,24.018,23.026,30]triaconta-1(29),2,4,6,8,12,14,16,18,20,22,26(30),27-tridecaene-11,25-dione
CID 102494132
ethyl 2-(2-propylbenzimidazol-1-yl)butanoate
CID 115970669
2-[(2-chloro-6-methylpyrimidin-4-yl)methyl]-1-propylbenzimidazole
CID 79754826
1-amino-3-propylquinoxalin-2-one
CID 123596583

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propylpyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-methyl-4-propylpyrimido[1,2-a]benzimidazole (CID 102439815) is 2-methyl-4-propylpyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-methyl-4-propylpyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-methyl-4-propylpyrimido[1,2-a]benzimidazole is CCCc1cc(C)nc2nc3ccccc3n12.
What is the InChIKey of 2-methyl-4-propylpyrimido[1,2-a]benzimidazole?
The InChIKey is XRABLQDNNAEXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3/c1-3-6-11-9-10(2)15-14-16-12-7-4-5-8-13(12)17(11)14/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 2-methyl-4-propylpyrimido[1,2-a]benzimidazole?
2-methyl-4-propylpyrimido[1,2-a]benzimidazole has a molecular weight of 225.30 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propylpyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 102439815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).