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

C12H16ClN3 — CID 6603340

IUPAC10-ethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESCCN1C2=NCCCN2c2ccccc21.Cl
InChIInChI=1S/C12H15N3.ClH/c1-2-14-10-6-3-4-7-11(10)15-9-5-8-13-12(14)15;/h3-4,6-7H,2,5,8-9H2,1H3;1H
InChIKeyUWLLSIPZBNDCBQ-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.51
Rot. Bonds1

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

10-ethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (PubChem CID 6603340) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 10-ethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.

Molecular Properties

Compound Name10-ethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
PubChem CID6603340
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name10-ethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESCCN1C2=NCCCN2c2ccccc21.Cl
InChIInChI=1S/C12H15N3.ClH/c1-2-14-10-6-3-4-7-11(10)15-9-5-8-13-12(14)15;/h3-4,6-7H,2,5,8-9H2,1H3;1H
InChIKeyUWLLSIPZBNDCBQ-UHFFFAOYSA-N
XLogP2.51
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The IUPAC name of 10-ethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (CID 6603340) is 10-ethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.
What is the SMILES notation for 10-ethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The canonical SMILES for 10-ethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is CCN1C2=NCCCN2c2ccccc21.Cl.
What is the InChIKey of 10-ethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The InChIKey is UWLLSIPZBNDCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3.ClH/c1-2-14-10-6-3-4-7-11(10)15-9-5-8-13-12(14)15;/h3-4,6-7H,2,5,8-9H2,1H3;1H.
What are the key properties of 10-ethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
10-ethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is sourced from PubChem (CID 6603340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).