2-pentylpyrimido[1,2-a]benzimidazole

C15H17N3 — CID 67303420

IUPAC2-pentylpyrimido[1,2-a]benzimidazole
SMILESCCCCCc1ccn2c(n1)nc1ccccc12
InChIInChI=1S/C15H17N3/c1-2-3-4-7-12-10-11-18-14-9-6-5-8-13(14)17-15(18)16-12/h5-6,8-11H,2-4,7H2,1H3
InChIKeyRMNPPCROODGXSO-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.62
Rot. Bonds4

About 2-pentylpyrimido[1,2-a]benzimidazole

2-pentylpyrimido[1,2-a]benzimidazole (PubChem CID 67303420) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 2-pentylpyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-pentylpyrimido[1,2-a]benzimidazole
PubChem CID67303420
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name2-pentylpyrimido[1,2-a]benzimidazole
SMILESCCCCCc1ccn2c(n1)nc1ccccc12
InChIInChI=1S/C15H17N3/c1-2-3-4-7-12-10-11-18-14-9-6-5-8-13(14)17-15(18)16-12/h5-6,8-11H,2-4,7H2,1H3
InChIKeyRMNPPCROODGXSO-UHFFFAOYSA-N
XLogP3.62
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethylpyrimido[1,2-a]benzimidazole
CID 86020727
2-heptyl-1-nonylbenzimidazole
CID 139787766
2-nonyl-1-undecylbenzimidazole
CID 139787757
1-ethyl-2-pentylbenzimidazole
CID 3463966
2-decyl-1-pentylbenzimidazole;hydrochloride
CID 71902549
2,6-dipentylpyridine
CID 58097448
2-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]pyrimido[1,2-a]benzimidazole
CID 149013956
2,6-didodecylpyridine
CID 90943274
2-(trifluoromethyl)pyrimido[1,2-a]benzimidazole
CID 11851221
2-tert-butyl-1-pentylbenzimidazole
CID 17000368
1-butyl-2-(1-butylbenzimidazol-2-yl)benzimidazole
CID 4014777
1-phenyl-2-tridecylbenzimidazole
CID 24821367

Frequently Asked Questions

What is the IUPAC name of 2-pentylpyrimido[1,2-a]benzimidazole?
The IUPAC name of 2-pentylpyrimido[1,2-a]benzimidazole (CID 67303420) is 2-pentylpyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 2-pentylpyrimido[1,2-a]benzimidazole?
The canonical SMILES for 2-pentylpyrimido[1,2-a]benzimidazole is CCCCCc1ccn2c(n1)nc1ccccc12.
What is the InChIKey of 2-pentylpyrimido[1,2-a]benzimidazole?
The InChIKey is RMNPPCROODGXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-2-3-4-7-12-10-11-18-14-9-6-5-8-13(14)17-15(18)16-12/h5-6,8-11H,2-4,7H2,1H3.
What are the key properties of 2-pentylpyrimido[1,2-a]benzimidazole?
2-pentylpyrimido[1,2-a]benzimidazole has a molecular weight of 239.32 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentylpyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 67303420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).