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

C10H13N3 — CID 3084422

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
SMILESc1ccc(NCC2=NCCN2)cc1
InChIInChI=1S/C10H13N3/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5,13H,6-8H2,(H,11,12)
InChIKeyFPZTYKLEJPXTKD-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.10
Rot. Bonds3

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

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (PubChem CID 3084422) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
PubChem CID3084422
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
SMILESc1ccc(NCC2=NCCN2)cc1
InChIInChI=1S/C10H13N3/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5,13H,6-8H2,(H,11,12)
InChIKeyFPZTYKLEJPXTKD-UHFFFAOYSA-N
XLogP1.10
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (CID 3084422) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline is c1ccc(NCC2=NCCN2)cc1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The InChIKey is FPZTYKLEJPXTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-2-4-9(5-3-1)13-8-10-11-6-7-12-10/h1-5,13H,6-8H2,(H,11,12).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline has a molecular weight of 175.24 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline is sourced from PubChem (CID 3084422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).