10-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide

C21H26BrN3 — CID 2851859

IUPAC10-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide
SMILESBr.CC(C)(C)c1ccc(CN2C3=NCCCN3c3ccccc32)cc1
InChIInChI=1S/C21H25N3.BrH/c1-21(2,3)17-11-9-16(10-12-17)15-24-19-8-5-4-7-18(19)23-14-6-13-22-20(23)24;/h4-5,7-12H,6,13-15H2,1-3H3;1H
InChIKeyFWNBMTIIZQMPCR-UHFFFAOYSA-N
MW400.36 g/mol
LogP5.15
Rot. Bonds2

About 10-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide

10-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide (PubChem CID 2851859) has the molecular formula C21H26BrN3 and a molecular weight of 400.36 g/mol. Its IUPAC name is 10-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide.

Molecular Properties

Compound Name10-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide
PubChem CID2851859
Molecular FormulaC21H26BrN3
Molecular Weight400.36 g/mol
Exact Mass399.13
IUPAC Name10-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide
SMILESBr.CC(C)(C)c1ccc(CN2C3=NCCCN3c3ccccc32)cc1
InChIInChI=1S/C21H25N3.BrH/c1-21(2,3)17-11-9-16(10-12-17)15-24-19-8-5-4-7-18(19)23-14-6-13-22-20(23)24;/h4-5,7-12H,6,13-15H2,1-3H3;1H
InChIKeyFWNBMTIIZQMPCR-UHFFFAOYSA-N
XLogP5.15
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.36
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

GNF-Pf-4385
CID 759333
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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
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CID 2881279
10-(4-Bromobenzyl)-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole hydrochloride
CID 2881840
1,3-Bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide
CID 53376043
1,2,3-Trimethyl-2-phenyl-2,3-dihydro-1H-benzoimidazole
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1,3-Dibenzylbenzimidazol-2-imine
CID 827991
10-Butyl-2,3,4,10-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrimidine hydrobromide
CID 5340523
2,3-Dihydro-1,3-dimethyl-2-phenyl-1H-benzimidazole
CID 199049

Frequently Asked Questions

What is the IUPAC name of 10-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide?
The IUPAC name of 10-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide (CID 2851859) is 10-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide.
What is the SMILES notation for 10-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide?
The canonical SMILES for 10-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide is Br.CC(C)(C)c1ccc(CN2C3=NCCCN3c3ccccc32)cc1.
What is the InChIKey of 10-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide?
The InChIKey is FWNBMTIIZQMPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3.BrH/c1-21(2,3)17-11-9-16(10-12-17)15-24-19-8-5-4-7-18(19)23-14-6-13-22-20(23)24;/h4-5,7-12H,6,13-15H2,1-3H3;1H.
What are the key properties of 10-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide?
10-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide has a molecular weight of 400.36 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-tert-butylphenyl)methyl]-3,4-dihydro-2H-pyrimido[1,2-a]benzimidazole;hydrobromide is sourced from PubChem (CID 2851859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).