2-(1H-imidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine

C10H15N5 — CID 6395323

IUPAC2-(1H-imidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCn1ccnc1CNCCc1cnc[nH]1
InChIInChI=1S/C10H15N5/c1-15-5-4-13-10(15)7-11-3-2-9-6-12-8-14-9/h4-6,8,11H,2-3,7H2,1H3,(H,12,14)
InChIKeyCEMWPXDTHRWMQQ-UHFFFAOYSA-N
MW205.27 g/mol
LogP0.48
Rot. Bonds5

About 2-(1H-imidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine

2-(1H-imidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine (PubChem CID 6395323) has the molecular formula C10H15N5 and a molecular weight of 205.27 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
PubChem CID6395323
Molecular FormulaC10H15N5
Molecular Weight205.27 g/mol
Exact Mass205.13
IUPAC Name2-(1H-imidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
SMILESCn1ccnc1CNCCc1cnc[nH]1
InChIInChI=1S/C10H15N5/c1-15-5-4-13-10(15)7-11-3-2-9-6-12-8-14-9/h4-6,8,11H,2-3,7H2,1H3,(H,12,14)
InChIKeyCEMWPXDTHRWMQQ-UHFFFAOYSA-N
XLogP0.48
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.27
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Histamine
CID 774
Histamine Dihydrochloride
CID 5818
1-Methylhistamine
CID 3614
3-Methylhistamine
CID 69520
N,N-Dimethyl-1H-imidazole-4-ethanamine
CID 12656
Histamine Hydrochloride
CID 120160
2-(1H-Imidazol-5-yl)ethan-1-aminium
CID 25201573
N(alpha)-methylhistamine
CID 912
2-Methylhistamine
CID 91613
2-(1h-Imidazol-4-yl)propan-1-amine
CID 565544
N-Methylhistamine dihydrochloride
CID 16078977
1-(2-(1H-imidazol-4-yl)ethyl)-3-methylthiourea
CID 10397487

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(1H-imidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine (CID 6395323) is 2-(1H-imidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(1H-imidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine is Cn1ccnc1CNCCc1cnc[nH]1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
The InChIKey is CEMWPXDTHRWMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5/c1-15-5-4-13-10(15)7-11-3-2-9-6-12-8-14-9/h4-6,8,11H,2-3,7H2,1H3,(H,12,14).
What are the key properties of 2-(1H-imidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine?
2-(1H-imidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine has a molecular weight of 205.27 g/mol, XLogP of 0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 6395323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).