3-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]butan-1-amine

C16H23N3 — CID 116877009

IUPAC3-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]butan-1-amine
SMILESCc1ccc(-c2cnc(C(C)CCN)[nH]2)c(C)c1C
InChIInChI=1S/C16H23N3/c1-10-5-6-14(13(4)12(10)3)15-9-18-16(19-15)11(2)7-8-17/h5-6,9,11H,7-8,17H2,1-4H3,(H,18,19)
InChIKeyNFGKUGIFHMTWSF-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.45
Rot. Bonds4

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

3-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]butan-1-amine (PubChem CID 116877009) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]butan-1-amine
PubChem CID116877009
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]butan-1-amine
SMILESCc1ccc(-c2cnc(C(C)CCN)[nH]2)c(C)c1C
InChIInChI=1S/C16H23N3/c1-10-5-6-14(13(4)12(10)3)15-9-18-16(19-15)11(2)7-8-17/h5-6,9,11H,7-8,17H2,1-4H3,(H,18,19)
InChIKeyNFGKUGIFHMTWSF-UHFFFAOYSA-N
XLogP3.45
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Medetomidine Hydrochloride
CID 68601
2-Phenylimidazole
CID 69591
Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
Detomidine
CID 56032
2-(3-Trifluoromethylphenyl)histamine
CID 5310982
Immethridine
CID 9989505
4-benzyl-1H-imidazole
CID 594090

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]butan-1-amine?
The IUPAC name of 3-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]butan-1-amine (CID 116877009) is 3-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]butan-1-amine.
What is the SMILES notation for 3-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]butan-1-amine?
The canonical SMILES for 3-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]butan-1-amine is Cc1ccc(-c2cnc(C(C)CCN)[nH]2)c(C)c1C.
What is the InChIKey of 3-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]butan-1-amine?
The InChIKey is NFGKUGIFHMTWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-10-5-6-14(13(4)12(10)3)15-9-18-16(19-15)11(2)7-8-17/h5-6,9,11H,7-8,17H2,1-4H3,(H,18,19).
What are the key properties of 3-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]butan-1-amine?
3-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]butan-1-amine has a molecular weight of 257.38 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]butan-1-amine is sourced from PubChem (CID 116877009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).