10-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride

C18H20ClN3 — CID 2881279

IUPAC10-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESCc1ccccc1CN1C2=NCCCN2c2ccccc21.Cl
InChIInChI=1S/C18H19N3.ClH/c1-14-7-2-3-8-15(14)13-21-17-10-5-4-9-16(17)20-12-6-11-19-18(20)21;/h2-5,7-10H,6,11-13H2,1H3;1H
InChIKeyOCNYBRXJXTWYHS-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.00
Rot. Bonds2

About 10-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride

10-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (PubChem CID 2881279) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 10-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.

Molecular Properties

Compound Name10-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
PubChem CID2881279
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC Name10-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESCc1ccccc1CN1C2=NCCCN2c2ccccc21.Cl
InChIInChI=1S/C18H19N3.ClH/c1-14-7-2-3-8-15(14)13-21-17-10-5-4-9-16(17)20-12-6-11-19-18(20)21;/h2-5,7-10H,6,11-13H2,1H3;1H
InChIKeyOCNYBRXJXTWYHS-UHFFFAOYSA-N
XLogP4.00
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The IUPAC name of 10-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (CID 2881279) is 10-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.
What is the SMILES notation for 10-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The canonical SMILES for 10-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is Cc1ccccc1CN1C2=NCCCN2c2ccccc21.Cl.
What is the InChIKey of 10-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The InChIKey is OCNYBRXJXTWYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3.ClH/c1-14-7-2-3-8-15(14)13-21-17-10-5-4-9-16(17)20-12-6-11-19-18(20)21;/h2-5,7-10H,6,11-13H2,1H3;1H.
What are the key properties of 10-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
10-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2-methylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is sourced from PubChem (CID 2881279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).