10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride

C17H18ClN3 — CID 2850990

IUPAC10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESCl.c1ccc(CN2C3=NCCCN3c3ccccc32)cc1
InChIInChI=1S/C17H17N3.ClH/c1-2-7-14(8-3-1)13-20-16-10-5-4-9-15(16)19-12-6-11-18-17(19)20;/h1-5,7-10H,6,11-13H2;1H
InChIKeySGUVBJSEJAVONU-UHFFFAOYSA-N
MW299.81 g/mol
LogP3.69
Rot. Bonds2

About 10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride

10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (PubChem CID 2850990) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.

Molecular Properties

Compound Name10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
PubChem CID2850990
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESCl.c1ccc(CN2C3=NCCCN3c3ccccc32)cc1
InChIInChI=1S/C17H17N3.ClH/c1-2-7-14(8-3-1)13-20-16-10-5-4-9-15(16)19-12-6-11-18-17(19)20;/h1-5,7-10H,6,11-13H2;1H
InChIKeySGUVBJSEJAVONU-UHFFFAOYSA-N
XLogP3.69
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The IUPAC name of 10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (CID 2850990) is 10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.
What is the SMILES notation for 10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The canonical SMILES for 10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is Cl.c1ccc(CN2C3=NCCCN3c3ccccc32)cc1.
What is the InChIKey of 10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The InChIKey is SGUVBJSEJAVONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3.ClH/c1-2-7-14(8-3-1)13-20-16-10-5-4-9-15(16)19-12-6-11-18-17(19)20;/h1-5,7-10H,6,11-13H2;1H.
What are the key properties of 10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride has a molecular weight of 299.81 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is sourced from PubChem (CID 2850990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).