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

C14H16ClN3 — CID 54925179

IUPACN-[[5-(2-chlorophenyl)-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine
SMILESClc1ccccc1-c1cnc(CNCC2CC2)[nH]1
InChIInChI=1S/C14H16ClN3/c15-12-4-2-1-3-11(12)13-8-17-14(18-13)9-16-7-10-5-6-10/h1-4,8,10,16H,5-7,9H2,(H,17,18)
InChIKeyBMOQTFNAJSZEND-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.23
Rot. Bonds5

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

N-[[5-(2-chlorophenyl)-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine (PubChem CID 54925179) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine
PubChem CID54925179
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC NameN-[[5-(2-chlorophenyl)-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine
SMILESClc1ccccc1-c1cnc(CNCC2CC2)[nH]1
InChIInChI=1S/C14H16ClN3/c15-12-4-2-1-3-11(12)13-8-17-14(18-13)9-16-7-10-5-6-10/h1-4,8,10,16H,5-7,9H2,(H,17,18)
InChIKeyBMOQTFNAJSZEND-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine?
The IUPAC name of N-[[5-(2-chlorophenyl)-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine (CID 54925179) is N-[[5-(2-chlorophenyl)-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine is Clc1ccccc1-c1cnc(CNCC2CC2)[nH]1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine?
The InChIKey is BMOQTFNAJSZEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c15-12-4-2-1-3-11(12)13-8-17-14(18-13)9-16-7-10-5-6-10/h1-4,8,10,16H,5-7,9H2,(H,17,18).
What are the key properties of N-[[5-(2-chlorophenyl)-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine?
N-[[5-(2-chlorophenyl)-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine has a molecular weight of 261.76 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1H-imidazol-2-yl]methyl]-1-cyclopropylmethanamine is sourced from PubChem (CID 54925179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).