N-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine

C17H19N3 — CID 115143891

IUPACN-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine
SMILESCc1ccc(CCNc2nc3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C17H19N3/c1-12-7-8-14(13(2)11-12)9-10-18-17-19-15-5-3-4-6-16(15)20-17/h3-8,11H,9-10H2,1-2H3,(H2,18,19,20)
InChIKeyUIKYYEYIMZVTLK-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.83
Rot. Bonds4

About N-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine

N-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine (PubChem CID 115143891) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine
PubChem CID115143891
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine
SMILESCc1ccc(CCNc2nc3ccccc3[nH]2)c(C)c1
InChIInChI=1S/C17H19N3/c1-12-7-8-14(13(2)11-12)9-10-18-17-19-15-5-3-4-6-16(15)20-17/h3-8,11H,9-10H2,1-2H3,(H2,18,19,20)
InChIKeyUIKYYEYIMZVTLK-UHFFFAOYSA-N
XLogP3.83
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-1H-benzimidazol-2-amine
CID 115143837
N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 62313746
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 103868134
N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 133410613
N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 30033461
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
N-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 146123718
N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide
CID 2082902

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine (CID 115143891) is N-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine is Cc1ccc(CCNc2nc3ccccc3[nH]2)c(C)c1.
What is the InChIKey of N-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine?
The InChIKey is UIKYYEYIMZVTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-12-7-8-14(13(2)11-12)9-10-18-17-19-15-5-3-4-6-16(15)20-17/h3-8,11H,9-10H2,1-2H3,(H2,18,19,20).
What are the key properties of N-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine?
N-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine has a molecular weight of 265.36 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethylphenyl)ethyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 115143891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).