N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine

C14H16ClN3 — CID 66147318

IUPACN-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESClc1ccc(Cn2cncc2CNC2CC2)cc1
InChIInChI=1S/C14H16ClN3/c15-12-3-1-11(2-4-12)9-18-10-16-7-14(18)8-17-13-5-6-13/h1-4,7,10,13,17H,5-6,8-9H2
InChIKeyIKJZSJGTGZQVJO-UHFFFAOYSA-N
MW261.76 g/mol
LogP2.84
Rot. Bonds5

About N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine

N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 66147318) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
PubChem CID66147318
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESClc1ccc(Cn2cncc2CNC2CC2)cc1
InChIInChI=1S/C14H16ClN3/c15-12-3-1-11(2-4-12)9-18-10-16-7-14(18)8-17-13-5-6-13/h1-4,7,10,13,17H,5-6,8-9H2
InChIKeyIKJZSJGTGZQVJO-UHFFFAOYSA-N
XLogP2.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine (CID 66147318) is N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine is Clc1ccc(Cn2cncc2CNC2CC2)cc1.
What is the InChIKey of N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is IKJZSJGTGZQVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-12-3-1-11(2-4-12)9-18-10-16-7-14(18)8-17-13-5-6-13/h1-4,7,10,13,17H,5-6,8-9H2.
What are the key properties of N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine?
N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 261.76 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66147318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).