1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine

C13H15N5 — CID 55080035

IUPAC1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine
SMILESCn1ccnc1CCn1cnc2cc(N)ccc21
InChIInChI=1S/C13H15N5/c1-17-7-5-15-13(17)4-6-18-9-16-11-8-10(14)2-3-12(11)18/h2-3,5,7-9H,4,6,14H2,1H3
InChIKeySYXFSZXLTYBJBC-UHFFFAOYSA-N
MW241.30 g/mol
LogP1.59
Rot. Bonds3

About 1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine

1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine (PubChem CID 55080035) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine
PubChem CID55080035
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC Name1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine
SMILESCn1ccnc1CCn1cnc2cc(N)ccc21
InChIInChI=1S/C13H15N5/c1-17-7-5-15-13(17)4-6-18-9-16-11-8-10(14)2-3-12(11)18/h2-3,5,7-9H,4,6,14H2,1H3
InChIKeySYXFSZXLTYBJBC-UHFFFAOYSA-N
XLogP1.59
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(1-methylpyrazol-3-yl)methyl]benzimidazol-5-amine
CID 82875518
4-(5-aminobenzimidazol-1-yl)butan-2-ol
CID 64912560
1-ethylbenzimidazol-5-amine;dihydrochloride
CID 46735992
3-(5-aminobenzimidazol-1-yl)propan-1-ol
CID 6504205
1-(2-cyclopentylethyl)benzimidazol-5-amine
CID 62507553
N-[3-(5-aminobenzimidazol-1-yl)propyl]methanesulfonamide
CID 106338404
1-(7-methyloctyl)benzimidazol-5-amine
CID 107818163
1-[(2-ethylphenyl)methyl]benzimidazol-5-amine
CID 64694587
2-[2-(5-aminobenzimidazol-1-yl)ethoxy]acetamide
CID 106240233
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-3-amine
CID 114527828
6-chloro-3-[2-(1-methylimidazol-2-yl)ethyl]pyrimidin-4-one
CID 114582023

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine (CID 55080035) is 1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine is Cn1ccnc1CCn1cnc2cc(N)ccc21.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine?
The InChIKey is SYXFSZXLTYBJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-17-7-5-15-13(17)4-6-18-9-16-11-8-10(14)2-3-12(11)18/h2-3,5,7-9H,4,6,14H2,1H3.
What are the key properties of 1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine?
1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine has a molecular weight of 241.30 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)ethyl]benzimidazol-5-amine is sourced from PubChem (CID 55080035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).