N-(1H-imidazol-5-ylmethyl)aniline

C10H11N3 — CID 13178307

IUPACN-(1H-imidazol-5-ylmethyl)aniline
SMILESc1ccc(NCc2cnc[nH]2)cc1
InChIInChI=1S/C10H11N3/c1-2-4-9(5-3-1)12-7-10-6-11-8-13-10/h1-6,8,12H,7H2,(H,11,13)
InChIKeyAUZUSOIPPYQZQA-UHFFFAOYSA-N
MW173.22 g/mol
LogP2.02
Rot. Bonds3

About N-(1H-imidazol-5-ylmethyl)aniline

N-(1H-imidazol-5-ylmethyl)aniline (PubChem CID 13178307) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)aniline.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)aniline
PubChem CID13178307
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC NameN-(1H-imidazol-5-ylmethyl)aniline
SMILESc1ccc(NCc2cnc[nH]2)cc1
InChIInChI=1S/C10H11N3/c1-2-4-9(5-3-1)12-7-10-6-11-8-13-10/h1-6,8,12H,7H2,(H,11,13)
InChIKeyAUZUSOIPPYQZQA-UHFFFAOYSA-N
XLogP2.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)aniline?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)aniline (CID 13178307) is N-(1H-imidazol-5-ylmethyl)aniline.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)aniline?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)aniline is c1ccc(NCc2cnc[nH]2)cc1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)aniline?
The InChIKey is AUZUSOIPPYQZQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-2-4-9(5-3-1)12-7-10-6-11-8-13-10/h1-6,8,12H,7H2,(H,11,13).
What are the key properties of N-(1H-imidazol-5-ylmethyl)aniline?
N-(1H-imidazol-5-ylmethyl)aniline has a molecular weight of 173.22 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)aniline is sourced from PubChem (CID 13178307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).