2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine

C16H23N3 — CID 65230425

IUPAC2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
SMILESCCCC(CN)c1ncc(-c2ccc(C)c(C)c2)[nH]1
InChIInChI=1S/C16H23N3/c1-4-5-14(9-17)16-18-10-15(19-16)13-7-6-11(2)12(3)8-13/h6-8,10,14H,4-5,9,17H2,1-3H3,(H,18,19)
InChIKeyXJXVEJMMOQWRNY-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.54
Rot. Bonds5

About 2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine

2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine (PubChem CID 65230425) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine.

Molecular Properties

Compound Name2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
PubChem CID65230425
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
SMILESCCCC(CN)c1ncc(-c2ccc(C)c(C)c2)[nH]1
InChIInChI=1S/C16H23N3/c1-4-5-14(9-17)16-18-10-15(19-16)13-7-6-11(2)12(3)8-13/h6-8,10,14H,4-5,9,17H2,1-3H3,(H,18,19)
InChIKeyXJXVEJMMOQWRNY-UHFFFAOYSA-N
XLogP3.54
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Dexmedetomidine
CID 5311068
Medetomidine
CID 68602
Dexmedetomidine Hydrochloride
CID 6918081
Detomidine Hydrochloride
CID 56031
Medetomidine Hydrochloride
CID 68601
2-Phenylimidazole
CID 69591
Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
Detomidine
CID 56032
2-(3-Trifluoromethylphenyl)histamine
CID 5310982
3-(1H-imidazol-5-yl)pyridine
CID 3040177
4-benzyl-1H-imidazole
CID 594090

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine?
The IUPAC name of 2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine (CID 65230425) is 2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine.
What is the SMILES notation for 2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine?
The canonical SMILES for 2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine is CCCC(CN)c1ncc(-c2ccc(C)c(C)c2)[nH]1.
What is the InChIKey of 2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine?
The InChIKey is XJXVEJMMOQWRNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-5-14(9-17)16-18-10-15(19-16)13-7-6-11(2)12(3)8-13/h6-8,10,14H,4-5,9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine?
2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine is sourced from PubChem (CID 65230425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).