2-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylaniline

C12H17N3 — CID 82241350

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylaniline
SMILESCC(C)Nc1ccccc1C1=NCCN1
InChIInChI=1S/C12H17N3/c1-9(2)15-11-6-4-3-5-10(11)12-13-7-8-14-12/h3-6,9,15H,7-8H2,1-2H3,(H,13,14)
InChIKeyMKHXKDHYFMMYDS-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.86
Rot. Bonds3

About 2-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylaniline

2-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylaniline (PubChem CID 82241350) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylaniline.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylaniline
PubChem CID82241350
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylaniline
SMILESCC(C)Nc1ccccc1C1=NCCN1
InChIInChI=1S/C12H17N3/c1-9(2)15-11-6-4-3-5-10(11)12-13-7-8-14-12/h3-6,9,15H,7-8H2,1-2H3,(H,13,14)
InChIKeyMKHXKDHYFMMYDS-UHFFFAOYSA-N
XLogP1.86
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea
CID 82245948
2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid
CID 82243185
N-(2-methoxyphenyl)-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
CID 82249227
4-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]phenol
CID 82247068
1-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-N,N-dimethylmethanamine
CID 82241351
2-(4,5-dihydro-1H-imidazol-2-yl)-6-phenylaniline
CID 91528278
2-[2-(methoxymethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 82241061
N-[(3-methylphenyl)methyl]-2-(1,4,5,6-tetrahydropyrimidin-2-yl)aniline
CID 143153215
2-(4,5-dihydro-1H-imidazol-2-yl)benzoic acid
CID 22227306
3-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)anilino]propanoic acid
CID 82244461
2-(4,5-dihydro-1H-imidazol-2-yl)benzenesulfonamide
CID 70538320
2-(2-nitrophenyl)-4,5-dihydro-1H-imidazole
CID 10877953

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylaniline?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylaniline (CID 82241350) is 2-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylaniline.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylaniline?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylaniline is CC(C)Nc1ccccc1C1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylaniline?
The InChIKey is MKHXKDHYFMMYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9(2)15-11-6-4-3-5-10(11)12-13-7-8-14-12/h3-6,9,15H,7-8H2,1-2H3,(H,13,14).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylaniline?
2-(4,5-dihydro-1H-imidazol-2-yl)-N-propan-2-ylaniline has a molecular weight of 203.29 g/mol, XLogP of 1.86, 3 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-yl)-N-propan-2-ylaniline is sourced from PubChem (CID 82241350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).