N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine

C13H14ClN3 — CID 114854126

IUPACN-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine
SMILESClc1ccc(-n2ccnc2)c(CNC2CC2)c1
InChIInChI=1S/C13H14ClN3/c14-11-1-4-13(17-6-5-15-9-17)10(7-11)8-16-12-2-3-12/h1,4-7,9,12,16H,2-3,8H2
InChIKeyNMIFTIKBMYVEJV-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.78
Rot. Bonds4

About N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine

N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine (PubChem CID 114854126) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine
PubChem CID114854126
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC NameN-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine
SMILESClc1ccc(-n2ccnc2)c(CNC2CC2)c1
InChIInChI=1S/C13H14ClN3/c14-11-1-4-13(17-6-5-15-9-17)10(7-11)8-16-12-2-3-12/h1,4-7,9,12,16H,2-3,8H2
InChIKeyNMIFTIKBMYVEJV-UHFFFAOYSA-N
XLogP2.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]propan-2-amine
CID 114854134
N-[(2-imidazol-1-ylphenyl)methyl]cyclopentanamine
CID 129369503
1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]pyrazole-3-carboxamide
CID 114854747
N-[[5-chloro-2-(2-imidazol-1-ylethoxy)phenyl]methyl]cyclopropanamine
CID 60883707
N-[[5-chloro-2-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]cyclopropanamine
CID 114854449
4-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509822
N-[[5-chloro-2-(3,5-diethylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 114854922
N-[(2-imidazol-1-ylquinolin-3-yl)methyl]cyclopropanamine
CID 43282124
4-(azetidin-1-yl)-N-[(2-imidazol-1-ylphenyl)methyl]-4-methylcyclohexan-1-amine
CID 167842489
1-[4-chloro-2-[(cyclopropylamino)methyl]phenyl]imidazole-4,5-dicarbonitrile
CID 114854944
N-[[5-chloro-2-(2,5-dimethylmorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114848298
N-[[5-chloro-2-(3-methylthiomorpholin-4-yl)phenyl]methyl]cyclopropanamine
CID 114851568

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine (CID 114854126) is N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine is Clc1ccc(-n2ccnc2)c(CNC2CC2)c1.
What is the InChIKey of N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine?
The InChIKey is NMIFTIKBMYVEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-11-1-4-13(17-6-5-15-9-17)10(7-11)8-16-12-2-3-12/h1,4-7,9,12,16H,2-3,8H2.
What are the key properties of N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine?
N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine has a molecular weight of 247.73 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-imidazol-1-ylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 114854126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).