2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline

C10H13N3 — CID 22493434

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
SMILESNc1ccccc1CC1=NCCN1
InChIInChI=1S/C10H13N3/c11-9-4-2-1-3-8(9)7-10-12-5-6-13-10/h1-4H,5-7,11H2,(H,12,13)
InChIKeyHKPLDTMZDAKBRQ-UHFFFAOYSA-N
MW175.24 g/mol
LogP0.81
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline

2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (PubChem CID 22493434) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
PubChem CID22493434
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
SMILESNc1ccccc1CC1=NCCN1
InChIInChI=1S/C10H13N3/c11-9-4-2-1-3-8(9)7-10-12-5-6-13-10/h1-4H,5-7,11H2,(H,12,13)
InChIKeyHKPLDTMZDAKBRQ-UHFFFAOYSA-N
XLogP0.81
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (CID 22493434) is 2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline is Nc1ccccc1CC1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The InChIKey is HKPLDTMZDAKBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c11-9-4-2-1-3-8(9)7-10-12-5-6-13-10/h1-4H,5-7,11H2,(H,12,13).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline has a molecular weight of 175.24 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline is sourced from PubChem (CID 22493434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).