N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline

C13H17N3 — CID 24946961

IUPACN-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
SMILESCC(C)N(Cc1cnc[nH]1)c1ccccc1
InChIInChI=1S/C13H17N3/c1-11(2)16(9-12-8-14-10-15-12)13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3,(H,14,15)
InChIKeyZJORNDARWIBRJD-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.82
Rot. Bonds4

About N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline

N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline (PubChem CID 24946961) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
PubChem CID24946961
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline
SMILESCC(C)N(Cc1cnc[nH]1)c1ccccc1
InChIInChI=1S/C13H17N3/c1-11(2)16(9-12-8-14-10-15-12)13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3,(H,14,15)
InChIKeyZJORNDARWIBRJD-UHFFFAOYSA-N
XLogP2.82
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
1-Phenylimidazole
CID 81595
3-(1H-imidazol-5-yl)pyridine
CID 3040177
Immethridine
CID 9989505
4-(1H-imidazol-1-yl)aniline
CID 320165
4-benzyl-1H-imidazole
CID 594090
4-(2-methyl-1H-imidazol-1-yl)aniline
CID 3157478
Imidazole-4-carboxanilide
CID 312385
2-(1H-imidazol-2-yl)pyridine
CID 589313
4-(2-(4-tert-Butylphenylamino)ethyl)-1H-imidazole
CID 46222045
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylphenyl)imidazolidin-2-one
CID 10492280

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline (CID 24946961) is N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline is CC(C)N(Cc1cnc[nH]1)c1ccccc1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline?
The InChIKey is ZJORNDARWIBRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11(2)16(9-12-8-14-10-15-12)13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3,(H,14,15).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline?
N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline has a molecular weight of 215.30 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-N-propan-2-ylaniline is sourced from PubChem (CID 24946961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).