N-[[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine

C14H16ClN3 — CID 55178632

IUPACN-[[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
SMILESClc1ccccc1Cc1ncc(CNC2CC2)[nH]1
InChIInChI=1S/C14H16ClN3/c15-13-4-2-1-3-10(13)7-14-17-9-12(18-14)8-16-11-5-6-11/h1-4,9,11,16H,5-8H2,(H,17,18)
InChIKeyMLZSGBZYPISXHY-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.91
Rot. Bonds5

About N-[[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine

N-[[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine (PubChem CID 55178632) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-[[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
PubChem CID55178632
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-[[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
SMILESClc1ccccc1Cc1ncc(CNC2CC2)[nH]1
InChIInChI=1S/C14H16ClN3/c15-13-4-2-1-3-10(13)7-14-17-9-12(18-14)8-16-11-5-6-11/h1-4,9,11,16H,5-8H2,(H,17,18)
InChIKeyMLZSGBZYPISXHY-UHFFFAOYSA-N
XLogP2.91
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine (CID 55178632) is N-[[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine is Clc1ccccc1Cc1ncc(CNC2CC2)[nH]1.
What is the InChIKey of N-[[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine?
The InChIKey is MLZSGBZYPISXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-13-4-2-1-3-10(13)7-14-17-9-12(18-14)8-16-11-5-6-11/h1-4,9,11,16H,5-8H2,(H,17,18).
What are the key properties of N-[[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine?
N-[[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine has a molecular weight of 261.76 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2-chlorophenyl)methyl]-1H-imidazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55178632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).