2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol

C13H18ClN3O — CID 120972167

IUPAC2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol
SMILESCN1CCN=C1NCC(C)(O)c1ccccc1Cl
InChIInChI=1S/C13H18ClN3O/c1-13(18,10-5-3-4-6-11(10)14)9-16-12-15-7-8-17(12)2/h3-6,18H,7-9H2,1-2H3,(H,15,16)
InChIKeyPSMQRYSOQDDZQY-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.44
Rot. Bonds3

About 2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol

2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol (PubChem CID 120972167) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol
PubChem CID120972167
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol
SMILESCN1CCN=C1NCC(C)(O)c1ccccc1Cl
InChIInChI=1S/C13H18ClN3O/c1-13(18,10-5-3-4-6-11(10)14)9-16-12-15-7-8-17(12)2/h3-6,18H,7-9H2,1-2H3,(H,15,16)
InChIKeyPSMQRYSOQDDZQY-UHFFFAOYSA-N
XLogP1.44
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-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

1-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]-4,5-dihydroimidazol-2-amine
CID 120970611
1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-2-thiophen-2-ylpropan-2-ol
CID 120971501
1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol
CID 122082808
2-(2-chlorophenyl)-1-(pyrimidin-2-ylamino)propan-2-ol
CID 133472200
N-[2-(4-bromo-2-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 122096453
1-(tert-butylamino)-2-(2-chlorophenyl)propan-2-ol
CID 62773407
N-[2-(3-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970612
N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971467
2-(2-chlorophenyl)-1-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)amino]propan-2-ol
CID 133472179
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971109
N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971466
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971108

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol?
The IUPAC name of 2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol (CID 120972167) is 2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol?
The canonical SMILES for 2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol is CN1CCN=C1NCC(C)(O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol?
The InChIKey is PSMQRYSOQDDZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-13(18,10-5-3-4-6-11(10)14)9-16-12-15-7-8-17(12)2/h3-6,18H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol?
2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol has a molecular weight of 267.76 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol is sourced from PubChem (CID 120972167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).