1-[(4-ethylphenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide

C17H20BrN3 — CID 90670821

IUPAC1-[(4-ethylphenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2ccccc2n1Cc1ccc(CC)cc1
InChIInChI=1S/C17H19N3.BrH/c1-3-13-8-10-14(11-9-13)12-20-16-7-5-4-6-15(16)19(2)17(20)18;/h4-11,18H,3,12H2,1-2H3;1H/b18-17+;
InChIKeyBZKUUUWIOBDJKQ-ZAGWXBKKSA-N
MW346.27 g/mol
LogP3.65
Rot. Bonds3

About 1-[(4-ethylphenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide

1-[(4-ethylphenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide (PubChem CID 90670821) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-[(4-ethylphenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide.

Molecular Properties

Compound Name1-[(4-ethylphenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide
PubChem CID90670821
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name1-[(4-ethylphenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide
SMILESBr.[H]/N=c1\n(C)c2ccccc2n1Cc1ccc(CC)cc1
InChIInChI=1S/C17H19N3.BrH/c1-3-13-8-10-14(11-9-13)12-20-16-7-5-4-6-15(16)19(2)17(20)18;/h4-11,18H,3,12H2,1-2H3;1H/b18-17+;
InChIKeyBZKUUUWIOBDJKQ-ZAGWXBKKSA-N
XLogP3.65
TPSA33.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

GNF-Pf-4385
CID 759333
1-Ethyl-2,3-dimethyl-2-phenylbenzimidazole
CID 3124417
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
1,3-Bis(3-phenylpropyl)benzimidazol-2-imine;hydrobromide
CID 53376043
1,2,3-Trimethyl-2-phenyl-2,3-dihydro-1H-benzoimidazole
CID 799470
1,3-Dibenzylbenzimidazol-2-imine
CID 827991
N-(3-Ethyl-phenyl)-2,3-dihydro-indole-1-carboxamidine
CID 11777643
2,3-Dihydro-1,3-dimethyl-2-phenyl-1H-benzimidazole
CID 199049
9-benzyl-2,9-dihydro-3H-imidazo[1,2-a]benzimidazole
CID 828006

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylphenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide?
The IUPAC name of 1-[(4-ethylphenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide (CID 90670821) is 1-[(4-ethylphenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide.
What is the SMILES notation for 1-[(4-ethylphenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide?
The canonical SMILES for 1-[(4-ethylphenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide is Br.[H]/N=c1\n(C)c2ccccc2n1Cc1ccc(CC)cc1.
What is the InChIKey of 1-[(4-ethylphenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide?
The InChIKey is BZKUUUWIOBDJKQ-ZAGWXBKKSA-N. The full InChI is InChI=1S/C17H19N3.BrH/c1-3-13-8-10-14(11-9-13)12-20-16-7-5-4-6-15(16)19(2)17(20)18;/h4-11,18H,3,12H2,1-2H3;1H/b18-17+;.
What are the key properties of 1-[(4-ethylphenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide?
1-[(4-ethylphenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide has a molecular weight of 346.27 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylphenyl)methyl]-3-methylbenzimidazol-2-imine;hydrobromide is sourced from PubChem (CID 90670821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).