2-[1-(2,5-dimethylphenyl)benzimidazol-2-yl]ethanamine

C17H19N3 — CID 82486748

IUPAC2-[1-(2,5-dimethylphenyl)benzimidazol-2-yl]ethanamine
SMILESCc1ccc(C)c(-n2c(CCN)nc3ccccc32)c1
InChIInChI=1S/C17H19N3/c1-12-7-8-13(2)16(11-12)20-15-6-4-3-5-14(15)19-17(20)9-10-18/h3-8,11H,9-10,18H2,1-2H3
InChIKeyCYSMJIFKASNPRE-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.14
Rot. Bonds3

About 2-[1-(2,5-dimethylphenyl)benzimidazol-2-yl]ethanamine

2-[1-(2,5-dimethylphenyl)benzimidazol-2-yl]ethanamine (PubChem CID 82486748) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenyl)benzimidazol-2-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(2,5-dimethylphenyl)benzimidazol-2-yl]ethanamine
PubChem CID82486748
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-[1-(2,5-dimethylphenyl)benzimidazol-2-yl]ethanamine
SMILESCc1ccc(C)c(-n2c(CCN)nc3ccccc32)c1
InChIInChI=1S/C17H19N3/c1-12-7-8-13(2)16(11-12)20-15-6-4-3-5-14(15)19-17(20)9-10-18/h3-8,11H,9-10,18H2,1-2H3
InChIKeyCYSMJIFKASNPRE-UHFFFAOYSA-N
XLogP3.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-chlorophenyl)benzimidazol-2-yl]ethanamine
CID 96668272
1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole
CID 82766388
1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole
CID 82766784
1-(5-chloro-2-methylphenyl)-2-propylbenzimidazol-5-amine
CID 63497224
2-(1-methylbenzimidazol-2-yl)ethanamine;dihydrochloride
CID 45075160
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43806442
2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole
CID 43666918
5-chloro-2-(2-chloroethyl)-1-(5-chloro-2-methylphenyl)benzimidazole
CID 43666678
1-(5-bromo-2-methylphenyl)-2-propylbenzimidazol-5-amine
CID 63495966
2-[1-(3,5-dichloro-2-pyridinyl)benzimidazol-2-yl]ethanamine
CID 63637547
1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole
CID 43666818
1-[(2,5-dimethylphenyl)methyl]-2-ethylbenzimidazole
CID 962442

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylphenyl)benzimidazol-2-yl]ethanamine?
The IUPAC name of 2-[1-(2,5-dimethylphenyl)benzimidazol-2-yl]ethanamine (CID 82486748) is 2-[1-(2,5-dimethylphenyl)benzimidazol-2-yl]ethanamine.
What is the SMILES notation for 2-[1-(2,5-dimethylphenyl)benzimidazol-2-yl]ethanamine?
The canonical SMILES for 2-[1-(2,5-dimethylphenyl)benzimidazol-2-yl]ethanamine is Cc1ccc(C)c(-n2c(CCN)nc3ccccc32)c1.
What is the InChIKey of 2-[1-(2,5-dimethylphenyl)benzimidazol-2-yl]ethanamine?
The InChIKey is CYSMJIFKASNPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-7-8-13(2)16(11-12)20-15-6-4-3-5-14(15)19-17(20)9-10-18/h3-8,11H,9-10,18H2,1-2H3.
What are the key properties of 2-[1-(2,5-dimethylphenyl)benzimidazol-2-yl]ethanamine?
2-[1-(2,5-dimethylphenyl)benzimidazol-2-yl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylphenyl)benzimidazol-2-yl]ethanamine is sourced from PubChem (CID 82486748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).