4-[[5-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzenesulfonamide

C14H20N4O2S — CID 66147737

IUPAC4-[[5-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzenesulfonamide
SMILESCC(C)NCc1cncn1Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H20N4O2S/c1-11(2)17-8-13-7-16-10-18(13)9-12-3-5-14(6-4-12)21(15,19)20/h3-7,10-11,17H,8-9H2,1-2H3,(H2,15,19,20)
InChIKeyVYCBJUURBYRVGF-UHFFFAOYSA-N
MW308.41 g/mol
LogP1.08
Rot. Bonds6

About 4-[[5-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzenesulfonamide

4-[[5-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzenesulfonamide (PubChem CID 66147737) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4-[[5-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[[5-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzenesulfonamide
PubChem CID66147737
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name4-[[5-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzenesulfonamide
SMILESCC(C)NCc1cncn1Cc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H20N4O2S/c1-11(2)17-8-13-7-16-10-18(13)9-12-3-5-14(6-4-12)21(15,19)20/h3-7,10-11,17H,8-9H2,1-2H3,(H2,15,19,20)
InChIKeyVYCBJUURBYRVGF-UHFFFAOYSA-N
XLogP1.08
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[5-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66150573
N-[[3-[(2-bromophenyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66147990
N-[(3-ethylimidazol-4-yl)methyl]propan-2-amine
CID 66118230
N-[[3-[(5-chlorothiophen-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66149748
N-[[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66149938
N-[[3-[(2-methoxy-4-pyridinyl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66151600
N-[[3-(naphthalen-1-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66151382
N-[[3-[(5-methylpyrazin-2-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66149306
N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66147520
N-[[3-[2-(1-methylpyrazol-3-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 106106680
N-[[3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 80686896
N-[[3-[2-(2,4-dichlorophenyl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 66146288

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-[[5-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzenesulfonamide (CID 66147737) is 4-[[5-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-[[5-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-[[5-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzenesulfonamide is CC(C)NCc1cncn1Cc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[[5-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzenesulfonamide?
The InChIKey is VYCBJUURBYRVGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c1-11(2)17-8-13-7-16-10-18(13)9-12-3-5-14(6-4-12)21(15,19)20/h3-7,10-11,17H,8-9H2,1-2H3,(H2,15,19,20).
What are the key properties of 4-[[5-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzenesulfonamide?
4-[[5-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzenesulfonamide has a molecular weight of 308.41 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 66147737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).