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

C17H16Cl3N3 — CID 2881193

IUPAC10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESCl.Clc1ccc(CN2C3=NCCCN3c3ccccc32)cc1Cl
InChIInChI=1S/C17H15Cl2N3.ClH/c18-13-7-6-12(10-14(13)19)11-22-16-5-2-1-4-15(16)21-9-3-8-20-17(21)22;/h1-2,4-7,10H,3,8-9,11H2;1H
InChIKeyASQCDVYSAKJEKV-UHFFFAOYSA-N
MW368.70 g/mol
LogP5.00
Rot. Bonds2

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

10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (PubChem CID 2881193) has the molecular formula C17H16Cl3N3 and a molecular weight of 368.70 g/mol. Its IUPAC name is 10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.

Molecular Properties

Compound Name10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
PubChem CID2881193
Molecular FormulaC17H16Cl3N3
Molecular Weight368.70 g/mol
Exact Mass367.04
IUPAC Name10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESCl.Clc1ccc(CN2C3=NCCCN3c3ccccc32)cc1Cl
InChIInChI=1S/C17H15Cl2N3.ClH/c18-13-7-6-12(10-14(13)19)11-22-16-5-2-1-4-15(16)21-9-3-8-20-17(21)22;/h1-2,4-7,10H,3,8-9,11H2;1H
InChIKeyASQCDVYSAKJEKV-UHFFFAOYSA-N
XLogP5.00
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.70
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The IUPAC name of 10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (CID 2881193) is 10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.
What is the SMILES notation for 10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The canonical SMILES for 10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is Cl.Clc1ccc(CN2C3=NCCCN3c3ccccc32)cc1Cl.
What is the InChIKey of 10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The InChIKey is ASQCDVYSAKJEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3.ClH/c18-13-7-6-12(10-14(13)19)11-22-16-5-2-1-4-15(16)21-9-3-8-20-17(21)22;/h1-2,4-7,10H,3,8-9,11H2;1H.
What are the key properties of 10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride has a molecular weight of 368.70 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is sourced from PubChem (CID 2881193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).