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

C16H23N3 — CID 116876889

IUPAC2-methyl-1-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]propan-2-amine
SMILESCc1ccc(-c2cnc(CC(C)(C)N)[nH]2)c(C)c1C
InChIInChI=1S/C16H23N3/c1-10-6-7-13(12(3)11(10)2)14-9-18-15(19-14)8-16(4,5)17/h6-7,9H,8,17H2,1-5H3,(H,18,19)
InChIKeyIDOLAAMKDYAQOJ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.28
Rot. Bonds3

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

2-methyl-1-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]propan-2-amine (PubChem CID 116876889) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-methyl-1-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-1-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]propan-2-amine
PubChem CID116876889
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-methyl-1-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]propan-2-amine
SMILESCc1ccc(-c2cnc(CC(C)(C)N)[nH]2)c(C)c1C
InChIInChI=1S/C16H23N3/c1-10-6-7-13(12(3)11(10)2)14-9-18-15(19-14)8-16(4,5)17/h6-7,9H,8,17H2,1-5H3,(H,18,19)
InChIKeyIDOLAAMKDYAQOJ-UHFFFAOYSA-N
XLogP3.28
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Medetomidine Hydrochloride
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Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
Detomidine
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2-(3-Trifluoromethylphenyl)histamine
CID 5310982
4-(4-fluorophenyl)-1H-imidazole
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Ngd 94-1
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FR-79620
CID 10421577

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]propan-2-amine?
The IUPAC name of 2-methyl-1-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]propan-2-amine (CID 116876889) is 2-methyl-1-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]propan-2-amine.
What is the SMILES notation for 2-methyl-1-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]propan-2-amine?
The canonical SMILES for 2-methyl-1-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]propan-2-amine is Cc1ccc(-c2cnc(CC(C)(C)N)[nH]2)c(C)c1C.
What is the InChIKey of 2-methyl-1-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]propan-2-amine?
The InChIKey is IDOLAAMKDYAQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-10-6-7-13(12(3)11(10)2)14-9-18-15(19-14)8-16(4,5)17/h6-7,9H,8,17H2,1-5H3,(H,18,19).
What are the key properties of 2-methyl-1-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]propan-2-amine?
2-methyl-1-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]propan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(2,3,4-trimethylphenyl)-1H-imidazol-2-yl]propan-2-amine is sourced from PubChem (CID 116876889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).