[5-(5-fluoro-3-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]methanamine

C13H13FN4 — CID 82385831

IUPAC[5-(5-fluoro-3-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]methanamine
SMILESCc1c(-c2cnc(CN)[nH]2)[nH]c2ccc(F)cc12
InChIInChI=1S/C13H13FN4/c1-7-9-4-8(14)2-3-10(9)18-13(7)11-6-16-12(5-15)17-11/h2-4,6,18H,5,15H2,1H3,(H,16,17)
InChIKeyAOXWDPQUHZOTSU-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.46
Rot. Bonds2

About [5-(5-fluoro-3-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]methanamine

[5-(5-fluoro-3-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]methanamine (PubChem CID 82385831) has the molecular formula C13H13FN4 and a molecular weight of 244.27 g/mol. Its IUPAC name is [5-(5-fluoro-3-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(5-fluoro-3-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]methanamine
PubChem CID82385831
Molecular FormulaC13H13FN4
Molecular Weight244.27 g/mol
Exact Mass244.11
IUPAC Name[5-(5-fluoro-3-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]methanamine
SMILESCc1c(-c2cnc(CN)[nH]2)[nH]c2ccc(F)cc12
InChIInChI=1S/C13H13FN4/c1-7-9-4-8(14)2-3-10(9)18-13(7)11-6-16-12(5-15)17-11/h2-4,6,18H,5,15H2,1H3,(H,16,17)
InChIKeyAOXWDPQUHZOTSU-UHFFFAOYSA-N
XLogP2.46
TPSA70.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[5-(3-fluorophenyl)-1H-imidazol-2-yl]methanamine;hydrochloride
CID 157070146
3-(5-fluoro-3-methyl-1H-indol-2-yl)-2-methylpropan-1-amine
CID 83859686
5-fluoro-3-methyl-2-propyl-1H-indole
CID 72942274
6-fluoro-2-(4-fluorophenyl)-3-methyl-1H-quinolin-4-one
CID 131850823
3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 116877050
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
6-fluoro-9H-pyrido[3,4-b]indol-3-amine
CID 115022160
(2R)-2-[5-(5-fluoro-3-methyl-1H-indol-2-yl)-4-phenylimidazol-1-yl]propanamide
CID 50975056
[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82285154
5-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-1-amine
CID 43651189
[5-(2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 43649243
4-[2-(2-chloro-4-fluorophenyl)-5-methyl-1H-indol-3-yl]butan-1-amine
CID 5013299

Frequently Asked Questions

What is the IUPAC name of [5-(5-fluoro-3-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]methanamine?
The IUPAC name of [5-(5-fluoro-3-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]methanamine (CID 82385831) is [5-(5-fluoro-3-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]methanamine.
What is the SMILES notation for [5-(5-fluoro-3-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]methanamine?
The canonical SMILES for [5-(5-fluoro-3-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]methanamine is Cc1c(-c2cnc(CN)[nH]2)[nH]c2ccc(F)cc12.
What is the InChIKey of [5-(5-fluoro-3-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]methanamine?
The InChIKey is AOXWDPQUHZOTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4/c1-7-9-4-8(14)2-3-10(9)18-13(7)11-6-16-12(5-15)17-11/h2-4,6,18H,5,15H2,1H3,(H,16,17).
What are the key properties of [5-(5-fluoro-3-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]methanamine?
[5-(5-fluoro-3-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]methanamine has a molecular weight of 244.27 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-fluoro-3-methyl-1H-indol-2-yl)-1H-imidazol-2-yl]methanamine is sourced from PubChem (CID 82385831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).