N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]cyclopropanamine

C15H17Cl2N3 — CID 66146075

IUPACN-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESClc1ccc(CCn2cncc2CNC2CC2)c(Cl)c1
InChIInChI=1S/C15H17Cl2N3/c16-12-2-1-11(15(17)7-12)5-6-20-10-18-8-14(20)9-19-13-3-4-13/h1-2,7-8,10,13,19H,3-6,9H2
InChIKeyKELDYRVYJCZHRJ-UHFFFAOYSA-N
MW310.23 g/mol
LogP3.68
Rot. Bonds6

About N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]cyclopropanamine

N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 66146075) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]cyclopropanamine
PubChem CID66146075
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC NameN-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESClc1ccc(CCn2cncc2CNC2CC2)c(Cl)c1
InChIInChI=1S/C15H17Cl2N3/c16-12-2-1-11(15(17)7-12)5-6-20-10-18-8-14(20)9-19-13-3-4-13/h1-2,7-8,10,13,19H,3-6,9H2
InChIKeyKELDYRVYJCZHRJ-UHFFFAOYSA-N
XLogP3.68
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 66146288
N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66147318
N-[[3-[(3-chlorophenyl)methyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66151383
N-[[3-(3,3,3-trifluoropropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66151603
N-[[3-(3-methoxypropyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66146516
4-propyl-N-[(3-propylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 66129378
N-[[3-[3-(diethylamino)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66146507
N-[[3-(cyclobutylmethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 66148807
4-[(2,4-dichlorophenyl)methylamino]cyclohexane-1-carboxamide
CID 43433251
2,4-dichloro-N-[(3-propylimidazol-4-yl)methyl]aniline
CID 66132507
N-[[3-[2-(3-methylphenoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 66151762
1-[(4-chlorophenyl)methyl]-N-[(3-methylimidazol-4-yl)methyl]piperidin-4-amine
CID 119109850

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]cyclopropanamine (CID 66146075) is N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]cyclopropanamine is Clc1ccc(CCn2cncc2CNC2CC2)c(Cl)c1.
What is the InChIKey of N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is KELDYRVYJCZHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c16-12-2-1-11(15(17)7-12)5-6-20-10-18-8-14(20)9-19-13-3-4-13/h1-2,7-8,10,13,19H,3-6,9H2.
What are the key properties of N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]cyclopropanamine?
N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 310.23 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66146075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).