1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine

C14H17ClFN3 — CID 106570211

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine
SMILESCc1cn(Cc2ccc(F)c(Cl)c2)c(NC(C)C)n1
InChIInChI=1S/C14H17ClFN3/c1-9(2)17-14-18-10(3)7-19(14)8-11-4-5-13(16)12(15)6-11/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyUVTSDQPDDCEFIL-UHFFFAOYSA-N
MW281.76 g/mol
LogP3.85
Rot. Bonds4

About 1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine

1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine (PubChem CID 106570211) has the molecular formula C14H17ClFN3 and a molecular weight of 281.76 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine
PubChem CID106570211
Molecular FormulaC14H17ClFN3
Molecular Weight281.76 g/mol
Exact Mass281.11
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine
SMILESCc1cn(Cc2ccc(F)c(Cl)c2)c(NC(C)C)n1
InChIInChI=1S/C14H17ClFN3/c1-9(2)17-14-18-10(3)7-19(14)8-11-4-5-13(16)12(15)6-11/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKeyUVTSDQPDDCEFIL-UHFFFAOYSA-N
XLogP3.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.76
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chloro-4-fluorophenyl)methyl]-N-cyclopentyl-4-methylimidazol-2-amine
CID 106570212
1-[(4-fluorophenyl)methyl]-N-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106558864
1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106565199
2-[1-[(3-chloro-4-fluorophenyl)methyl]-4-methylimidazol-2-yl]sulfanylacetic acid
CID 81337097
1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106560953
(1S)-1-[3-[(3-chloro-4-fluorophenyl)methyl]imidazol-4-yl]ethanamine
CID 104942900
4-methyl-1-(2-methylbutyl)-N-propan-2-ylimidazol-2-amine
CID 106570359
1-[(3-ethyl-2-pyridinyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106578976
4-methyl-N-propan-2-yl-1-(2-pyrrolidin-1-ylethyl)imidazol-2-amine
CID 106570264
1-[(3-chloro-4-fluorophenyl)methyl]-2-(2-fluoro-3,6-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134469251
1-[(3-chloro-4-fluorophenyl)methyl]-2-(4,5-dimethoxy-2-methylanilino)-5-methoxypyrimidin-4-one
CID 134290266
N-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine
CID 106565809

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine (CID 106570211) is 1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine is Cc1cn(Cc2ccc(F)c(Cl)c2)c(NC(C)C)n1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine?
The InChIKey is UVTSDQPDDCEFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3/c1-9(2)17-14-18-10(3)7-19(14)8-11-4-5-13(16)12(15)6-11/h4-7,9H,8H2,1-3H3,(H,17,18).
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine?
1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine has a molecular weight of 281.76 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106570211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).