N-[[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]methyl]propan-2-amine

C14H18FN3 — CID 58874950

IUPACN-[[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(-c2ccc(F)cc2)c(CNC(C)C)[nH]1
InChIInChI=1S/C14H18FN3/c1-9(2)16-8-13-14(18-10(3)17-13)11-4-6-12(15)7-5-11/h4-7,9,16H,8H2,1-3H3,(H,17,18)
InChIKeyISJAZMHJDUXQQS-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.02
Rot. Bonds4

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

N-[[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]methyl]propan-2-amine (PubChem CID 58874950) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]methyl]propan-2-amine
PubChem CID58874950
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC NameN-[[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(-c2ccc(F)cc2)c(CNC(C)C)[nH]1
InChIInChI=1S/C14H18FN3/c1-9(2)16-8-13-14(18-10(3)17-13)11-4-6-12(15)7-5-11/h4-7,9,16H,8H2,1-3H3,(H,17,18)
InChIKeyISJAZMHJDUXQQS-UHFFFAOYSA-N
XLogP3.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 82285806
2-[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]acetic acid
CID 82290525
N-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109262
4-(4-fluorophenyl)-2,5-dimethyl-1H-pyrimidin-6-one
CID 135549350
4-(5-ethyl-2-methyl-1H-imidazol-4-yl)phenol
CID 105454397
[4-(4-ethylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82284727
N-(4-fluorophenyl)-N-methyl-4-[(propan-2-ylamino)methyl]pyridin-3-amine
CID 105073352
2-[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 65232861
2,3,5,6-tetrakis(4-fluorophenyl)pyrazine
CID 132966321
N-[[5-(4-fluorophenyl)-2-methoxyphenyl]methyl]propan-2-amine
CID 61025376
N-[(5-fluoro-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335821
N-[[2-(5-fluoro-2-methylphenyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 62388931

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]methyl]propan-2-amine (CID 58874950) is N-[[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]methyl]propan-2-amine is Cc1nc(-c2ccc(F)cc2)c(CNC(C)C)[nH]1.
What is the InChIKey of N-[[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]methyl]propan-2-amine?
The InChIKey is ISJAZMHJDUXQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-9(2)16-8-13-14(18-10(3)17-13)11-4-6-12(15)7-5-11/h4-7,9,16H,8H2,1-3H3,(H,17,18).
What are the key properties of N-[[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]methyl]propan-2-amine?
N-[[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]methyl]propan-2-amine has a molecular weight of 247.32 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)-2-methyl-1H-imidazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 58874950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).