[2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine

C11H13N3 — CID 105442686

IUPAC[2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine
SMILESCc1ncc(-c2ccccc2CN)[nH]1
InChIInChI=1S/C11H13N3/c1-8-13-7-11(14-8)10-5-3-2-4-9(10)6-12/h2-5,7H,6,12H2,1H3,(H,13,14)
InChIKeyDRGUZQCDCBXMPU-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.84
Rot. Bonds2

About [2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine

[2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine (PubChem CID 105442686) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is [2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine
PubChem CID105442686
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name[2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine
SMILESCc1ncc(-c2ccccc2CN)[nH]1
InChIInChI=1S/C11H13N3/c1-8-13-7-11(14-8)10-5-3-2-4-9(10)6-12/h2-5,7H,6,12H2,1H3,(H,13,14)
InChIKeyDRGUZQCDCBXMPU-UHFFFAOYSA-N
XLogP1.84
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(1H-imidazol-5-yl)phenyl]methanamine
CID 21023616
2-(aminomethyl)-4-(2-methyl-1H-imidazol-5-yl)phenol
CID 115023017
[2-[4-methyl-5-(pyridin-2-ylmethyl)-1H-pyrrol-2-yl]phenyl]methanamine
CID 174606473
2-(2-methyl-1H-imidazol-5-yl)-6-[2-[2-[6-(2-methyl-1H-imidazol-5-yl)-2-pyridinyl]phenyl]phenyl]pyridine
CID 58836181
ethane;[2-(5-methylthiophen-2-yl)phenyl]methanamine
CID 156737353
[2-(3,5-dimethyl-1H-pyrazol-4-yl)phenyl]methanamine
CID 82506261
[2-(1H-indol-2-yl)phenyl]methanamine
CID 142707803
[5-(2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 43649243
2,3-difluoro-4-(2-methyl-1H-imidazol-5-yl)aniline
CID 167066939
2-chloro-5-(2-methylphenyl)-1H-imidazole
CID 105446616
[2-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]methanamine
CID 103386817
ethane;(2-phenylphenyl)methanamine
CID 142592948

Frequently Asked Questions

What is the IUPAC name of [2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine?
The IUPAC name of [2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine (CID 105442686) is [2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine.
What is the SMILES notation for [2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine?
The canonical SMILES for [2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine is Cc1ncc(-c2ccccc2CN)[nH]1.
What is the InChIKey of [2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine?
The InChIKey is DRGUZQCDCBXMPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-8-13-7-11(14-8)10-5-3-2-4-9(10)6-12/h2-5,7H,6,12H2,1H3,(H,13,14).
What are the key properties of [2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine?
[2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine has a molecular weight of 187.25 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methyl-1H-imidazol-5-yl)phenyl]methanamine is sourced from PubChem (CID 105442686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).