1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine

C15H18FN3 — CID 60866946

IUPAC1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine
SMILESCc1[nH]c(CNCC2CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C15H18FN3/c1-10-15(12-4-6-13(16)7-5-12)19-14(18-10)9-17-8-11-2-3-11/h4-7,11,17H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyYQCFNAWOBQIRSV-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.02
Rot. Bonds5

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

1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine (PubChem CID 60866946) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is 1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine
PubChem CID60866946
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC Name1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine
SMILESCc1[nH]c(CNCC2CC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C15H18FN3/c1-10-15(12-4-6-13(16)7-5-12)19-14(18-10)9-17-8-11-2-3-11/h4-7,11,17H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyYQCFNAWOBQIRSV-UHFFFAOYSA-N
XLogP3.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(4-chlorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine
CID 60866945
[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine
CID 43649221
2-(cyclopropylmethylamino)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 119681458
N-(1H-benzimidazol-2-ylmethyl)-1-cyclopropylmethanamine
CID 43655401
4-[2-(hydroxymethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105456043
N-[[5-methyl-4-(4-methylphenyl)-1H-imidazol-2-yl]methyl]aniline
CID 60861436
4-[[(4-fluorophenyl)methylamino]methyl]cyclohexan-1-amine
CID 115213417
N-(cyclopropylmethyl)prop-2-en-1-amine;1-fluoro-4-methylbenzene
CID 142940150
1-cyclopropyl-N-[[4-(5-fluoro-2-pyridinyl)-5-methyl-1,3-thiazol-2-yl]methyl]methanamine
CID 112583423
N-[(4-chloro-1H-benzimidazol-2-yl)methyl]-1-cyclopropylmethanamine
CID 60787932
1-cyclopropyl-N-[[5-(5-methylthiophen-2-yl)-1H-imidazol-2-yl]methyl]methanamine
CID 54925180
4-[2-(2-aminoethyl)-5-methyl-1H-imidazol-4-yl]phenol
CID 105471255

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine?
The IUPAC name of 1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine (CID 60866946) is 1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine is Cc1[nH]c(CNCC2CC2)nc1-c1ccc(F)cc1.
What is the InChIKey of 1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine?
The InChIKey is YQCFNAWOBQIRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-10-15(12-4-6-13(16)7-5-12)19-14(18-10)9-17-8-11-2-3-11/h4-7,11,17H,2-3,8-9H2,1H3,(H,18,19).
What are the key properties of 1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine?
1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine has a molecular weight of 259.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methyl]methanamine is sourced from PubChem (CID 60866946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).