1-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine

C15H20FN3 — CID 112679312

IUPAC1-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine
SMILESCc1[nH]c(C(N)CC(C)C)nc1-c1ccccc1F
InChIInChI=1S/C15H20FN3/c1-9(2)8-13(17)15-18-10(3)14(19-15)11-6-4-5-7-12(11)16/h4-7,9,13H,8,17H2,1-3H3,(H,18,19)
InChIKeyKCLPFBNVLMRNKY-UHFFFAOYSA-N
MW261.34 g/mol
LogP3.57
Rot. Bonds4

About 1-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine

1-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine (PubChem CID 112679312) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine
PubChem CID112679312
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name1-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine
SMILESCc1[nH]c(C(N)CC(C)C)nc1-c1ccccc1F
InChIInChI=1S/C15H20FN3/c1-9(2)8-13(17)15-18-10(3)14(19-15)11-6-4-5-7-12(11)16/h4-7,9,13H,8,17H2,1-3H3,(H,18,19)
InChIKeyKCLPFBNVLMRNKY-UHFFFAOYSA-N
XLogP3.57
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(4-bromophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 43651263
4-(2-fluorophenyl)-5-methyl-2-propan-2-yl-1H-pyrimidin-6-one
CID 136692391
5-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]pentan-1-amine
CID 112679311
4-(2-fluorophenyl)-5-methyl-1H-imidazole-2-carbaldehyde
CID 112680136
1-(4,5-difluoro-1H-benzimidazol-2-yl)-3-methylbutan-1-amine
CID 112556492
N-[[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]propan-1-amine
CID 112679329
(1S)-2-methyl-1-(5-methyl-4-phenyl-1H-imidazol-2-yl)propan-1-amine
CID 102970498
1-[4-(2-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propan-1-amine
CID 112677183
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497
1-[5-(5-bromo-2-fluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
CID 82970486
(1S)-1-(2-fluoro-6-methoxyphenyl)-3-methylbutan-1-amine;hydrochloride
CID 171230236
4-(2-fluorophenyl)-5-methyl-2-(pyrrolidin-2-ylmethyl)-1H-imidazole
CID 112679327

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine (CID 112679312) is 1-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine is Cc1[nH]c(C(N)CC(C)C)nc1-c1ccccc1F.
What is the InChIKey of 1-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The InChIKey is KCLPFBNVLMRNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3/c1-9(2)8-13(17)15-18-10(3)14(19-15)11-6-4-5-7-12(11)16/h4-7,9,13H,8,17H2,1-3H3,(H,18,19).
What are the key properties of 1-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine?
1-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine has a molecular weight of 261.34 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)-5-methyl-1H-imidazol-2-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 112679312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).