2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine

C11H14N4 — CID 61325096

IUPAC2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
SMILESNc1ccccc1NCCn1ccnc1
InChIInChI=1S/C11H14N4/c12-10-3-1-2-4-11(10)14-6-8-15-7-5-13-9-15/h1-5,7,9,14H,6,8,12H2
InChIKeyBXMAXYGPJAMWQP-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.58
Rot. Bonds4

About 2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine

2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine (PubChem CID 61325096) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
PubChem CID61325096
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
SMILESNc1ccccc1NCCn1ccnc1
InChIInChI=1S/C11H14N4/c12-10-3-1-2-4-11(10)14-6-8-15-7-5-13-9-15/h1-5,7,9,14H,6,8,12H2
InChIKeyBXMAXYGPJAMWQP-UHFFFAOYSA-N
XLogP1.58
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61324281
3-N-(2-imidazol-1-ylethyl)-2-nitrobenzene-1,3-diamine
CID 80804235
2-(2-imidazol-1-ylethylamino)benzonitrile
CID 60677676
2-chloro-1-N-(2-imidazol-1-ylethyl)benzene-1,4-diamine
CID 61324074
3-chloro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 61325720
3-N-(2-imidazol-1-ylethyl)quinoxaline-2,3-diamine
CID 102983953
2-(2-imidazol-1-ylethylamino)-N,N-dimethylbenzenesulfonamide
CID 61326146
N-ethyl-2-(2-imidazol-1-ylethylamino)benzenesulfonamide
CID 61325529
3-chloro-1-N-(3-imidazol-1-ylpropyl)benzene-1,2-diamine
CID 104833984
3,4-difluoro-2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine
CID 62532331
2-[2-(2-imidazol-1-ylethylamino)phenyl]-1H-triazol-5-one
CID 57153179
5-amino-2-(2-imidazol-1-ylethylamino)benzoic acid
CID 54951052

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine?
The IUPAC name of 2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine (CID 61325096) is 2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine is Nc1ccccc1NCCn1ccnc1.
What is the InChIKey of 2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine?
The InChIKey is BXMAXYGPJAMWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c12-10-3-1-2-4-11(10)14-6-8-15-7-5-13-9-15/h1-5,7,9,14H,6,8,12H2.
What are the key properties of 2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine?
2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine has a molecular weight of 202.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-imidazol-1-ylethyl)benzene-1,2-diamine is sourced from PubChem (CID 61325096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).