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

C17H17Cl2N3 — CID 24761602

IUPAC10-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESCl.Clc1cccc(CN2C3=NCCCN3c3ccccc32)c1
InChIInChI=1S/C17H16ClN3.ClH/c18-14-6-3-5-13(11-14)12-21-16-8-2-1-7-15(16)20-10-4-9-19-17(20)21;/h1-3,5-8,11H,4,9-10,12H2;1H
InChIKeyXNNVBMMRQRNXLP-UHFFFAOYSA-N
MW334.25 g/mol
LogP4.35
Rot. Bonds2

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

10-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (PubChem CID 24761602) has the molecular formula C17H17Cl2N3 and a molecular weight of 334.25 g/mol. Its IUPAC name is 10-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.

Molecular Properties

Compound Name10-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
PubChem CID24761602
Molecular FormulaC17H17Cl2N3
Molecular Weight334.25 g/mol
Exact Mass333.08
IUPAC Name10-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESCl.Clc1cccc(CN2C3=NCCCN3c3ccccc32)c1
InChIInChI=1S/C17H16ClN3.ClH/c18-14-6-3-5-13(11-14)12-21-16-8-2-1-7-15(16)20-10-4-9-19-17(20)21;/h1-3,5-8,11H,4,9-10,12H2;1H
InChIKeyXNNVBMMRQRNXLP-UHFFFAOYSA-N
XLogP4.35
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The IUPAC name of 10-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (CID 24761602) is 10-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.
What is the SMILES notation for 10-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The canonical SMILES for 10-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is Cl.Clc1cccc(CN2C3=NCCCN3c3ccccc32)c1.
What is the InChIKey of 10-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The InChIKey is XNNVBMMRQRNXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3.ClH/c18-14-6-3-5-13(11-14)12-21-16-8-2-1-7-15(16)20-10-4-9-19-17(20)21;/h1-3,5-8,11H,4,9-10,12H2;1H.
What are the key properties of 10-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
10-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride has a molecular weight of 334.25 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is sourced from PubChem (CID 24761602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).