[1-methyl-4-(1H-pyrrol-2-yl)imidazol-2-yl]methanamine

C9H12N4 — CID 83695794

IUPAC[1-methyl-4-(1H-pyrrol-2-yl)imidazol-2-yl]methanamine
SMILESCn1cc(-c2ccc[nH]2)nc1CN
InChIInChI=1S/C9H12N4/c1-13-6-8(12-9(13)5-10)7-3-2-4-11-7/h2-4,6,11H,5,10H2,1H3
InChIKeyDMJIBEYPZYHZHE-UHFFFAOYSA-N
MW176.22 g/mol
LogP0.87
Rot. Bonds2

About [1-methyl-4-(1H-pyrrol-2-yl)imidazol-2-yl]methanamine

[1-methyl-4-(1H-pyrrol-2-yl)imidazol-2-yl]methanamine (PubChem CID 83695794) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is [1-methyl-4-(1H-pyrrol-2-yl)imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-4-(1H-pyrrol-2-yl)imidazol-2-yl]methanamine
PubChem CID83695794
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name[1-methyl-4-(1H-pyrrol-2-yl)imidazol-2-yl]methanamine
SMILESCn1cc(-c2ccc[nH]2)nc1CN
InChIInChI=1S/C9H12N4/c1-13-6-8(12-9(13)5-10)7-3-2-4-11-7/h2-4,6,11H,5,10H2,1H3
InChIKeyDMJIBEYPZYHZHE-UHFFFAOYSA-N
XLogP0.87
TPSA59.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-bis(1H-pyrrol-2-yl)pyridazine
CID 102440417
2-ethyl-5-(1H-pyrrol-2-yl)pyrazine
CID 160769784
6-bromo-8-methyl-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyridine
CID 83170739
6-chloro-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyridine
CID 78909023
methane;tris(1H-pyrrole);2-(1H-pyrrol-2-yl)-1H-pyrrole
CID 159141644
N-ethyl-2-[4-(1H-pyrrol-2-yl)-1,3-thiazol-2-yl]ethanamine
CID 116968355
2-methyl-4-(1H-pyrrol-2-yl)pyrimidine
CID 116903909
4-methyl-3-(1H-pyrrol-2-yl)-1,2,4-triazole
CID 136631027
5,7-dimethoxy-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrimidine
CID 115404185
2-(methoxymethyl)-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
CID 103341838
[2-methyl-5-(1H-pyrrol-2-yl)-1H-pyrrol-3-yl]methanamine
CID 96630256
1-methyl-5-(1H-pyrrol-2-yl)pyrazole
CID 137013321

Frequently Asked Questions

What is the IUPAC name of [1-methyl-4-(1H-pyrrol-2-yl)imidazol-2-yl]methanamine?
The IUPAC name of [1-methyl-4-(1H-pyrrol-2-yl)imidazol-2-yl]methanamine (CID 83695794) is [1-methyl-4-(1H-pyrrol-2-yl)imidazol-2-yl]methanamine.
What is the SMILES notation for [1-methyl-4-(1H-pyrrol-2-yl)imidazol-2-yl]methanamine?
The canonical SMILES for [1-methyl-4-(1H-pyrrol-2-yl)imidazol-2-yl]methanamine is Cn1cc(-c2ccc[nH]2)nc1CN.
What is the InChIKey of [1-methyl-4-(1H-pyrrol-2-yl)imidazol-2-yl]methanamine?
The InChIKey is DMJIBEYPZYHZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-13-6-8(12-9(13)5-10)7-3-2-4-11-7/h2-4,6,11H,5,10H2,1H3.
What are the key properties of [1-methyl-4-(1H-pyrrol-2-yl)imidazol-2-yl]methanamine?
[1-methyl-4-(1H-pyrrol-2-yl)imidazol-2-yl]methanamine has a molecular weight of 176.22 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-4-(1H-pyrrol-2-yl)imidazol-2-yl]methanamine is sourced from PubChem (CID 83695794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).