5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine

C14H17F2N3 — CID 43651162

IUPAC5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
SMILESNCCCCCc1ncc(-c2ccc(F)c(F)c2)[nH]1
InChIInChI=1S/C14H17F2N3/c15-11-6-5-10(8-12(11)16)13-9-18-14(19-13)4-2-1-3-7-17/h5-6,8-9H,1-4,7,17H2,(H,18,19)
InChIKeyOIXQOTPSIIPNQI-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.03
Rot. Bonds6

About 5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine

5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine (PubChem CID 43651162) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine.

Molecular Properties

Compound Name5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
PubChem CID43651162
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
SMILESNCCCCCc1ncc(-c2ccc(F)c(F)c2)[nH]1
InChIInChI=1S/C14H17F2N3/c15-11-6-5-10(8-12(11)16)13-9-18-14(19-13)4-2-1-3-7-17/h5-6,8-9H,1-4,7,17H2,(H,18,19)
InChIKeyOIXQOTPSIIPNQI-UHFFFAOYSA-N
XLogP3.03
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.03
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-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43650814
5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651189
6-[5-(3-fluoro-4-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651738
5-(5-phenyl-1H-imidazol-2-yl)pentan-1-amine
CID 43651216
6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine
CID 83125480
6-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651783
5-[5-(2,4-dichlorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651166
3-[5-(5-chloro-2-fluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 116876929
3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol
CID 116878411
5-[3-(3,4-difluorophenyl)-1H-1,2,4-triazol-5-yl]pentan-1-amine
CID 82569314
5-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651179
6-[5-(2-bromophenyl)-1H-imidazol-2-yl]hexan-1-amine
CID 43651769

Frequently Asked Questions

What is the IUPAC name of 5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine?
The IUPAC name of 5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine (CID 43651162) is 5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine.
What is the SMILES notation for 5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine?
The canonical SMILES for 5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine is NCCCCCc1ncc(-c2ccc(F)c(F)c2)[nH]1.
What is the InChIKey of 5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine?
The InChIKey is OIXQOTPSIIPNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c15-11-6-5-10(8-12(11)16)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-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine?
5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine has a molecular weight of 265.31 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]pentan-1-amine is sourced from PubChem (CID 43651162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).