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

C17H17BrClN3 — CID 2881840

IUPAC10-[(4-bromophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESBrc1ccc(CN2C3=NCCCN3c3ccccc32)cc1.Cl
InChIInChI=1S/C17H16BrN3.ClH/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;1H
InChIKeyVMCFJIBXGSVUAX-UHFFFAOYSA-N
MW378.70 g/mol
LogP4.46
Rot. Bonds2

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

10-[(4-bromophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (PubChem CID 2881840) has the molecular formula C17H17BrClN3 and a molecular weight of 378.70 g/mol. Its IUPAC name is 10-[(4-bromophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.

Molecular Properties

Compound Name10-[(4-bromophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
PubChem CID2881840
Molecular FormulaC17H17BrClN3
Molecular Weight378.70 g/mol
Exact Mass377.03
IUPAC Name10-[(4-bromophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride
SMILESBrc1ccc(CN2C3=NCCCN3c3ccccc32)cc1.Cl
InChIInChI=1S/C17H16BrN3.ClH/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;1H
InChIKeyVMCFJIBXGSVUAX-UHFFFAOYSA-N
XLogP4.46
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.70
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromobenzyl)-3-methyl-1,3-dihydro-2H-benzimidazol-2-one
CID 797061
9-(4-fluorobenzyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazole hydrochloride
CID 16681777
9-butyl-2-phenyl-2,9-dihydro-3H-imidazo[1,2-a]benzimidazole
CID 23723094
10-(3-Methylbenzyl)-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole
CID 24761604
10-(2-Methylbenzyl)-2,3,4,10-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrimidine hydrochloride
CID 2881279
3-[1-[(4-bromophenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 137517537
9-benzyl-2,9-dihydro-3H-imidazo[1,2-a]benzimidazole
CID 828006
10-Benzyl-2,3,4,10-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrimidine hydrochloride
CID 2850990
10-(4-tert-Butyl-benzyl)-2,3,4,10-tetrahydro-benzo[4,5]imidazo[1,2-a]pyrimidine
CID 2851859
10-(4-Fluorobenzyl)-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole hydrochloride
CID 2899152
10-(4-Methylbenzyl)-2,3,4,10-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrimidine hydrochloride
CID 6603488
10-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole
CID 883012

Frequently Asked Questions

What is the IUPAC name of 10-[(4-bromophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The IUPAC name of 10-[(4-bromophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride (CID 2881840) is 10-[(4-bromophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride.
What is the SMILES notation for 10-[(4-bromophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The canonical SMILES for 10-[(4-bromophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is Brc1ccc(CN2C3=NCCCN3c3ccccc32)cc1.Cl.
What is the InChIKey of 10-[(4-bromophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
The InChIKey is VMCFJIBXGSVUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3.ClH/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;1H.
What are the key properties of 10-[(4-bromophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride?
10-[(4-bromophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride has a molecular weight of 378.70 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-bromophenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrochloride is sourced from PubChem (CID 2881840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).