N-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine

C16H22ClN3O — CID 106570107

IUPACN-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NCc1cccc(Cl)c1
InChIInChI=1S/C16H22ClN3O/c1-3-21-9-5-8-20-12-13(2)19-16(20)18-11-14-6-4-7-15(17)10-14/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3,(H,18,19)
InChIKeyRCWDMSMVOIIGRO-UHFFFAOYSA-N
MW307.83 g/mol
LogP3.88
Rot. Bonds8

About N-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine

N-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106570107) has the molecular formula C16H22ClN3O and a molecular weight of 307.83 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
PubChem CID106570107
Molecular FormulaC16H22ClN3O
Molecular Weight307.83 g/mol
Exact Mass307.15
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NCc1cccc(Cl)c1
InChIInChI=1S/C16H22ClN3O/c1-3-21-9-5-8-20-12-13(2)19-16(20)18-11-14-6-4-7-15(17)10-14/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3,(H,18,19)
InChIKeyRCWDMSMVOIIGRO-UHFFFAOYSA-N
XLogP3.88
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethoxypropyl)-4-methyl-N-[(3-methylphenyl)methyl]imidazol-2-amine
CID 106563235
N-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106558383
1-butyl-N-[(3-fluorophenyl)methyl]-4-methylimidazol-2-amine
CID 106560922
1-(3-ethoxypropyl)-4-methyl-N-(1,3-thiazol-5-ylmethyl)imidazol-2-amine
CID 106582463
1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine
CID 106563286
1-(3-ethoxypropyl)-4-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-amine
CID 106565604
N-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106583247
N-[(3-chlorophenyl)methyl]-4-methyl-1-phenylimidazol-2-amine
CID 106570145
N-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106581223
N-(5-bromo-2-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571100
N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554458
N-[(3-chlorophenyl)methyl]-4-ethoxybutan-1-amine
CID 115584497

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine (CID 106570107) is N-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine is CCOCCCn1cc(C)nc1NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is RCWDMSMVOIIGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-3-21-9-5-8-20-12-13(2)19-16(20)18-11-14-6-4-7-15(17)10-14/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3,(H,18,19).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
N-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 307.83 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-(3-ethoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106570107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).