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

C10H12ClN3 — CID 13123534

IUPAC2-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
SMILESClc1ccccc1NCC1=NCCN1
InChIInChI=1S/C10H12ClN3/c11-8-3-1-2-4-9(8)14-7-10-12-5-6-13-10/h1-4,14H,5-7H2,(H,12,13)
InChIKeyDYFUNGBOKHWQAJ-UHFFFAOYSA-N
MW209.68 g/mol
LogP1.75
Rot. Bonds3

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

2-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (PubChem CID 13123534) has the molecular formula C10H12ClN3 and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
PubChem CID13123534
Molecular FormulaC10H12ClN3
Molecular Weight209.68 g/mol
Exact Mass209.07
IUPAC Name2-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
SMILESClc1ccccc1NCC1=NCCN1
InChIInChI=1S/C10H12ClN3/c11-8-3-1-2-4-9(8)14-7-10-12-5-6-13-10/h1-4,14H,5-7H2,(H,12,13)
InChIKeyDYFUNGBOKHWQAJ-UHFFFAOYSA-N
XLogP1.75
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The IUPAC name of 2-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (CID 13123534) is 2-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The canonical SMILES for 2-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline is Clc1ccccc1NCC1=NCCN1.
What is the InChIKey of 2-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The InChIKey is DYFUNGBOKHWQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3/c11-8-3-1-2-4-9(8)14-7-10-12-5-6-13-10/h1-4,14H,5-7H2,(H,12,13).
What are the key properties of 2-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
2-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline has a molecular weight of 209.68 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline is sourced from PubChem (CID 13123534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).