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

C17H16ClN3 — CID 652645

IUPAC10-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
SMILESClc1ccc(CN2C3=NCCCN3c3ccccc32)cc1
InChIInChI=1S/C17H16ClN3/c18-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)20-11-3-10-19-17(20)21/h1-2,4-9H,3,10-12H2
InChIKeyNUDBAUWWKREJBT-UHFFFAOYSA-N
MW297.79 g/mol
LogP3.93
Rot. Bonds2

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

10-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole (PubChem CID 652645) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is 10-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole.

Molecular Properties

Compound Name10-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
PubChem CID652645
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC Name10-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
SMILESClc1ccc(CN2C3=NCCCN3c3ccccc32)cc1
InChIInChI=1S/C17H16ClN3/c18-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)20-11-3-10-19-17(20)21/h1-2,4-9H,3,10-12H2
InChIKeyNUDBAUWWKREJBT-UHFFFAOYSA-N
XLogP3.93
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
The IUPAC name of 10-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole (CID 652645) is 10-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole.
What is the SMILES notation for 10-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
The canonical SMILES for 10-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole is Clc1ccc(CN2C3=NCCCN3c3ccccc32)cc1.
What is the InChIKey of 10-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
The InChIKey is NUDBAUWWKREJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c18-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)20-11-3-10-19-17(20)21/h1-2,4-9H,3,10-12H2.
What are the key properties of 10-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole?
10-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole has a molecular weight of 297.79 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-chlorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole is sourced from PubChem (CID 652645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).