N-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine

C15H17ClFN3 — CID 103050367

IUPACN-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
SMILESCc1ncc(CNC2CC2)n1Cc1cc(Cl)ccc1F
InChIInChI=1S/C15H17ClFN3/c1-10-18-7-14(8-19-13-3-4-13)20(10)9-11-6-12(16)2-5-15(11)17/h2,5-7,13,19H,3-4,8-9H2,1H3
InChIKeyZTWCNRXFELRNKG-UHFFFAOYSA-N
MW293.77 g/mol
LogP3.28
Rot. Bonds5

About N-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine

N-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine (PubChem CID 103050367) has the molecular formula C15H17ClFN3 and a molecular weight of 293.77 g/mol. Its IUPAC name is N-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
PubChem CID103050367
Molecular FormulaC15H17ClFN3
Molecular Weight293.77 g/mol
Exact Mass293.11
IUPAC NameN-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
SMILESCc1ncc(CNC2CC2)n1Cc1cc(Cl)ccc1F
InChIInChI=1S/C15H17ClFN3/c1-10-18-7-14(8-19-13-3-4-13)20(10)9-11-6-12(16)2-5-15(11)17/h2,5-7,13,19H,3-4,8-9H2,1H3
InChIKeyZTWCNRXFELRNKG-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methanamine
CID 103050362
N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65171718
N-[[3-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114859912
1-[3-[(2,5-dichlorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65316101
N-[[3-[(5-bromo-2-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65171963
N-[[2-methyl-3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 65172224
N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65172284
3-chloro-N-[(5-chloro-2-fluorophenyl)methyl]cyclobutan-1-amine
CID 103050005
N-[[3-[(5-bromo-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]propan-1-amine
CID 65173041
N-[[3-[(3-bromo-4-methoxyphenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65171964
1-[3-[(2-fluorophenyl)methyl]-2-methylimidazol-4-yl]-N-methylmethanamine
CID 65173130
N-[[3-(3,3-dimethylbutyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65171713

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine (CID 103050367) is N-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine is Cc1ncc(CNC2CC2)n1Cc1cc(Cl)ccc1F.
What is the InChIKey of N-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is ZTWCNRXFELRNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3/c1-10-18-7-14(8-19-13-3-4-13)20(10)9-11-6-12(16)2-5-15(11)17/h2,5-7,13,19H,3-4,8-9H2,1H3.
What are the key properties of N-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine?
N-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 293.77 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 103050367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).