N-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine

C15H17Cl2N3 — CID 60849821

IUPACN-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
SMILESClc1ccc(-c2cnc(CNC3CCCC3)[nH]2)cc1Cl
InChIInChI=1S/C15H17Cl2N3/c16-12-6-5-10(7-13(12)17)14-8-19-15(20-14)9-18-11-3-1-2-4-11/h5-8,11,18H,1-4,9H2,(H,19,20)
InChIKeyUJUJCAZURKOMBP-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.42
Rot. Bonds4

About N-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine

N-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine (PubChem CID 60849821) has the molecular formula C15H17Cl2N3 and a molecular weight of 310.23 g/mol. Its IUPAC name is N-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
PubChem CID60849821
Molecular FormulaC15H17Cl2N3
Molecular Weight310.23 g/mol
Exact Mass309.08
IUPAC NameN-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
SMILESClc1ccc(-c2cnc(CNC3CCCC3)[nH]2)cc1Cl
InChIInChI=1S/C15H17Cl2N3/c16-12-6-5-10(7-13(12)17)14-8-19-15(20-14)9-18-11-3-1-2-4-11/h5-8,11,18H,1-4,9H2,(H,19,20)
InChIKeyUJUJCAZURKOMBP-UHFFFAOYSA-N
XLogP4.42
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
CID 60851239
[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid
CID 143516405
N-[[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
CID 60842321
N-[[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]methyl]cyclopropanamine
CID 60841056
2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole
CID 116884455
N-[[5-(2-methylphenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
CID 60851238
N-[[5-(3-chloro-4-fluorophenyl)-1H-imidazol-2-yl]methyl]propan-2-amine
CID 60843269
N-[(3,4-dichlorophenyl)methyl]cyclooctanamine;hydrochloride
CID 17331622
1-[5-(4-cyclohexylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 82305684
2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]azepane
CID 64570784
N-[[5-(3-bromophenyl)-1H-imidazol-2-yl]methyl]-1-tert-butylpiperidin-4-amine
CID 119128426
(1S)-2-(cyclopentylamino)-1-(3,4-dichlorophenyl)ethanol
CID 94591374

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine (CID 60849821) is N-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine is Clc1ccc(-c2cnc(CNC3CCCC3)[nH]2)cc1Cl.
What is the InChIKey of N-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine?
The InChIKey is UJUJCAZURKOMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3/c16-12-6-5-10(7-13(12)17)14-8-19-15(20-14)9-18-11-3-1-2-4-11/h5-8,11,18H,1-4,9H2,(H,19,20).
What are the key properties of N-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine?
N-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine has a molecular weight of 310.23 g/mol, XLogP of 4.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 60849821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).