3-[methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]amino]-1-phenylpropan-1-ol

C24H31N3O3S — CID 45189890

IUPAC3-[methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]amino]-1-phenylpropan-1-ol
SMILESCN(CCC(O)c1ccccc1)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1
InChIInChI=1S/C24H31N3O3S/c1-26(17-15-23(28)21-13-7-4-8-14-21)19-22-18-25-24(31(2,29)30)27(22)16-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14,18,23,28H,9,12,15-17,19H2,1-2H3
InChIKeyRPJDYWZPNDNRMF-UHFFFAOYSA-N
MW441.60 g/mol
LogP3.47
Rot. Bonds11

About 3-[methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]amino]-1-phenylpropan-1-ol

3-[methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]amino]-1-phenylpropan-1-ol (PubChem CID 45189890) has the molecular formula C24H31N3O3S and a molecular weight of 441.60 g/mol. Its IUPAC name is 3-[methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]amino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-[methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]amino]-1-phenylpropan-1-ol
PubChem CID45189890
Molecular FormulaC24H31N3O3S
Molecular Weight441.60 g/mol
Exact Mass441.21
IUPAC Name3-[methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]amino]-1-phenylpropan-1-ol
SMILESCN(CCC(O)c1ccccc1)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1
InChIInChI=1S/C24H31N3O3S/c1-26(17-15-23(28)21-13-7-4-8-14-21)19-22-18-25-24(31(2,29)30)27(22)16-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14,18,23,28H,9,12,15-17,19H2,1-2H3
InChIKeyRPJDYWZPNDNRMF-UHFFFAOYSA-N
XLogP3.47
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.60
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]amino]-1-phenylpropan-1-ol 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

2-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl-methylamino]-1-phenylethanol
CID 45223103
N-methyl-1-(5-methylfuran-2-yl)-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]methanamine
CID 25280780
N-ethyl-N-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 25282632
N-[[3-butyl-2-(cyclobutylmethylsulfonyl)imidazol-4-yl]methyl]-N-methyl-2-phenylethanamine
CID 29023100
N-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 45244584
(1S)-3-[[6-(dimethylamino)-3-pyridinyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 99957750
3-[methyl-[(4-methylphenyl)methyl]amino]-1-phenylpropan-1-ol
CID 62612269
3-[(4-chlorophenyl)methyl-methylamino]-1-phenylpropan-1-ol
CID 62611608
3-[[4-(dimethylamino)phenyl]methyl-methylamino]-1-phenylpropan-1-ol
CID 11347068
N-ethyl-N-[[2-ethylsulfonyl-3-(2-phenylethyl)imidazol-4-yl]methyl]-2-methylprop-2-en-1-amine
CID 42518145
1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol
CID 114979015
N-methyl-N-[[3-(3-methylbutyl)-2-propan-2-ylsulfonylimidazol-4-yl]methyl]-2-pyridin-2-ylethanamine
CID 29150644

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]amino]-1-phenylpropan-1-ol?
The IUPAC name of 3-[methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]amino]-1-phenylpropan-1-ol (CID 45189890) is 3-[methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]amino]-1-phenylpropan-1-ol.
What is the SMILES notation for 3-[methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]amino]-1-phenylpropan-1-ol?
The canonical SMILES for 3-[methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]amino]-1-phenylpropan-1-ol is CN(CCC(O)c1ccccc1)Cc1cnc(S(C)(=O)=O)n1CCCc1ccccc1.
What is the InChIKey of 3-[methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]amino]-1-phenylpropan-1-ol?
The InChIKey is RPJDYWZPNDNRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3S/c1-26(17-15-23(28)21-13-7-4-8-14-21)19-22-18-25-24(31(2,29)30)27(22)16-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14,18,23,28H,9,12,15-17,19H2,1-2H3.
What are the key properties of 3-[methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]amino]-1-phenylpropan-1-ol?
3-[methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]amino]-1-phenylpropan-1-ol has a molecular weight of 441.60 g/mol, XLogP of 3.47, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[[2-methylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]amino]-1-phenylpropan-1-ol is sourced from PubChem (CID 45189890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).