N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine

C14H18ClN3O — CID 106554458

IUPACN-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCn1cc(C)nc1NCc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O/c1-11-10-18(7-8-19-2)14(17-11)16-9-12-3-5-13(15)6-4-12/h3-6,10H,7-9H2,1-2H3,(H,16,17)
InChIKeyTVMPGLDTASZXTH-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.10
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine

N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine (PubChem CID 106554458) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
PubChem CID106554458
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCn1cc(C)nc1NCc1ccc(Cl)cc1
InChIInChI=1S/C14H18ClN3O/c1-11-10-18(7-8-19-2)14(17-11)16-9-12-3-5-13(15)6-4-12/h3-6,10H,7-9H2,1-2H3,(H,16,17)
InChIKeyTVMPGLDTASZXTH-UHFFFAOYSA-N
XLogP3.10
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine 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-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106560515
N-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106565203
1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106568099
N-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106568956
N-[(2-chlorophenyl)methyl]-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106557078
1-(2-methoxyethyl)-4-methyl-N-octylimidazol-2-amine
CID 106578866
1-(2-methoxyethyl)-4-methyl-N-[(2-methylcyclopropyl)methyl]imidazol-2-amine
CID 106580797
N-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106570107
1-ethyl-4-methyl-N-[(4-propan-2-ylphenyl)methyl]imidazol-2-amine
CID 106567350
4-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-propylimidazol-2-amine
CID 106567157
N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1-propylimidazol-2-amine
CID 106564440
1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106564456

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine (CID 106554458) is N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine is COCCn1cc(C)nc1NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The InChIKey is TVMPGLDTASZXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-11-10-18(7-8-19-2)14(17-11)16-9-12-3-5-13(15)6-4-12/h3-6,10H,7-9H2,1-2H3,(H,16,17).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine has a molecular weight of 279.77 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106554458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).