5-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pentan-1-amine

C14H17Cl2N3 — CID 43651166

IUPAC5-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pentan-1-amine
SMILESNCCCCCc1ncc(-c2ccc(Cl)cc2Cl)[nH]1
InChIInChI=1S/C14H17Cl2N3/c15-10-5-6-11(12(16)8-10)13-9-18-14(19-13)4-2-1-3-7-17/h5-6,8-9H,1-4,7,17H2,(H,18,19)
InChIKeyFSTJANDAQBVDGP-UHFFFAOYSA-N
MW298.22 g/mol
LogP4.05
Rot. Bonds6

About 5-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pentan-1-amine

5-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pentan-1-amine (PubChem CID 43651166) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 5-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pentan-1-amine
PubChem CID43651166
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name5-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pentan-1-amine
SMILESNCCCCCc1ncc(-c2ccc(Cl)cc2Cl)[nH]1
InChIInChI=1S/C14H17Cl2N3/c15-10-5-6-11(12(16)8-10)13-9-18-14(19-13)4-2-1-3-7-17/h5-6,8-9H,1-4,7,17H2,(H,18,19)
InChIKeyFSTJANDAQBVDGP-UHFFFAOYSA-N
XLogP4.05
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876929
5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651179
5-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methyl]-1H-imidazole
CID 141255849
5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651162
6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651769
5-(5-naphthalen-1-yl-1H-imidazol-2-yl)pentan-1-amine
CID 43651211
5-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 43651216
5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651189
3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-ol
CID 116878459
6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine
CID 83125480
5-(2,4-dichlorophenyl)-2-[(4-methoxyphenyl)methyl]-1H-imidazole
CID 18755567
3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650814

Frequently Asked Questions

What is the IUPAC name of 5-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pentan-1-amine?
The IUPAC name of 5-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pentan-1-amine (CID 43651166) is 5-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pentan-1-amine.
What is the SMILES notation for 5-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pentan-1-amine?
The canonical SMILES for 5-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pentan-1-amine is NCCCCCc1ncc(-c2ccc(Cl)cc2Cl)[nH]1.
What is the InChIKey of 5-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pentan-1-amine?
The InChIKey is FSTJANDAQBVDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c15-10-5-6-11(12(16)8-10)13-9-18-14(19-13)4-2-1-3-7-17/h5-6,8-9H,1-4,7,17H2,(H,18,19).
What are the key properties of 5-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pentan-1-amine?
5-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pentan-1-amine has a molecular weight of 298.22 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pentan-1-amine is sourced from PubChem (CID 43651166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).