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

C17H15Cl2N3 — CID 711733

IUPAC10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
SMILESClc1ccc(CN2C3=NCCCN3c3ccccc32)cc1Cl
InChIInChI=1S/C17H15Cl2N3/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
InChIKeyMWAUQHLNXGQFJC-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.58
Rot. Bonds2

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

10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole (PubChem CID 711733) has the molecular formula C17H15Cl2N3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
PubChem CID711733
Molecular FormulaC17H15Cl2N3
Molecular Weight332.23 g/mol
Exact Mass331.06
IUPAC Name10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
SMILESClc1ccc(CN2C3=NCCCN3c3ccccc32)cc1Cl
InChIInChI=1S/C17H15Cl2N3/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
InChIKeyMWAUQHLNXGQFJC-UHFFFAOYSA-N
XLogP4.58
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.58
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?
The IUPAC name of 10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole (CID 711733) is 10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole is Clc1ccc(CN2C3=NCCCN3c3ccccc32)cc1Cl.
What is the InChIKey of 10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
The InChIKey is MWAUQHLNXGQFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3/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.
What are the key properties of 10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
10-[(3,4-dichlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole has a molecular weight of 332.23 g/mol, XLogP of 4.58, 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 is sourced from PubChem (CID 711733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).