2-amino-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanamide

C13H18N4O — CID 110460893

IUPAC2-amino-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C13H18N4O/c1-13(2,14)12(18)17-10-5-3-9(4-6-10)11-15-7-8-16-11/h3-6H,7-8,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCYFOOXGAWGLAOK-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.71
Rot. Bonds3

About 2-amino-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanamide

2-amino-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanamide (PubChem CID 110460893) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-amino-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanamide
PubChem CID110460893
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-amino-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanamide
SMILESCC(C)(N)C(=O)Nc1ccc(C2=NCCN2)cc1
InChIInChI=1S/C13H18N4O/c1-13(2,14)12(18)17-10-5-3-9(4-6-10)11-15-7-8-16-11/h3-6H,7-8,14H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyCYFOOXGAWGLAOK-UHFFFAOYSA-N
XLogP0.71
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-(4-methoxyphenyl)-2-methylpropanamide
CID 82240501
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]butanamide
CID 82242863
3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea
CID 82245950
1-N,2-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,2-dicarboxamide
CID 3036997
1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;methanesulfonic acid
CID 76853603
ethyl 3-[4-(4,5-dihydro-1H-imidazol-2-yl)anilino]-3-oxopropanoate
CID 110465453
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]benzamide;hydrochloride
CID 44531278
1-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-[2-[[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]carbamoylamino]phenyl]urea;dihydrochloride
CID 131876826
5-amino-1-N,3-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,3-dicarboxamide;dihydrochloride
CID 131880619
2-N,6-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]pyridine-2,6-dicarboxamide;dihydrochloride
CID 131876063
N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1-methylpyrazole-4-carboxamide
CID 110461808
2,5-dichloro-1-N,4-N-bis[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]benzene-1,4-dicarboxamide;dihydrochloride
CID 131880616

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-amino-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanamide (CID 110460893) is 2-amino-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-amino-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanamide is CC(C)(N)C(=O)Nc1ccc(C2=NCCN2)cc1.
What is the InChIKey of 2-amino-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanamide?
The InChIKey is CYFOOXGAWGLAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-13(2,14)12(18)17-10-5-3-9(4-6-10)11-15-7-8-16-11/h3-6H,7-8,14H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-amino-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanamide?
2-amino-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 0.71, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 110460893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).