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

C5H10N4 — CID 54546826

IUPAC[2-(aminomethyl)-1H-imidazol-5-yl]methanamine
SMILESNCc1cnc(CN)[nH]1
InChIInChI=1S/C5H10N4/c6-1-4-3-8-5(2-7)9-4/h3H,1-2,6-7H2,(H,8,9)
InChIKeyZHCJNKHIDUZZTB-UHFFFAOYSA-N
MW126.16 g/mol
LogP-0.67
Rot. Bonds2

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

[2-(aminomethyl)-1H-imidazol-5-yl]methanamine (PubChem CID 54546826) has the molecular formula C5H10N4 and a molecular weight of 126.16 g/mol. Its IUPAC name is [2-(aminomethyl)-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(aminomethyl)-1H-imidazol-5-yl]methanamine
PubChem CID54546826
Molecular FormulaC5H10N4
Molecular Weight126.16 g/mol
Exact Mass126.09
IUPAC Name[2-(aminomethyl)-1H-imidazol-5-yl]methanamine
SMILESNCc1cnc(CN)[nH]1
InChIInChI=1S/C5H10N4/c6-1-4-3-8-5(2-7)9-4/h3H,1-2,6-7H2,(H,8,9)
InChIKeyZHCJNKHIDUZZTB-UHFFFAOYSA-N
XLogP-0.67
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(5-ethyl-1H-imidazol-2-yl)methanamine
CID 82235615
4-[[5-(aminomethyl)-1H-imidazol-2-yl]methyl]phenol
CID 112545414
[2-(propoxymethyl)-1H-imidazol-5-yl]methanamine
CID 63108990
[2-[(3,5-dichlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 95474815
[2-[(4-chlorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82292085
[2-[(4-chlorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methanamine
CID 66143429
[2-[(2,4-difluorophenyl)methyl]-1H-imidazol-5-yl]methanamine
CID 64558732
[2-[(3-fluorophenyl)methyl]-1H-imidazol-5-yl]methanamine
CID 63108978
(5-tert-butyl-1H-imidazol-2-yl)methanamine
CID 43649269
[2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82292430
[2-[(1,4-dimethylpiperazin-2-yl)methyl]-1H-imidazol-5-yl]methanamine
CID 115415878
[2-[(2,5-dimethylphenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82289277

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-(aminomethyl)-1H-imidazol-5-yl]methanamine (CID 54546826) is [2-(aminomethyl)-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-(aminomethyl)-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-(aminomethyl)-1H-imidazol-5-yl]methanamine is NCc1cnc(CN)[nH]1.
What is the InChIKey of [2-(aminomethyl)-1H-imidazol-5-yl]methanamine?
The InChIKey is ZHCJNKHIDUZZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4/c6-1-4-3-8-5(2-7)9-4/h3H,1-2,6-7H2,(H,8,9).
What are the key properties of [2-(aminomethyl)-1H-imidazol-5-yl]methanamine?
[2-(aminomethyl)-1H-imidazol-5-yl]methanamine has a molecular weight of 126.16 g/mol, XLogP of -0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 54546826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).