N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethyl-3-methylbutan-1-amine

C17H23ClN4 — CID 67412965

IUPACN-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethyl-3-methylbutan-1-amine
SMILESCCN(CCC(C)C)N=C(c1ccccc1Cl)n1ccnc1
InChIInChI=1S/C17H23ClN4/c1-4-22(11-9-14(2)3)20-17(21-12-10-19-13-21)15-7-5-6-8-16(15)18/h5-8,10,12-14H,4,9,11H2,1-3H3
InChIKeyVHPYWVLETZVXOU-UHFFFAOYSA-N
MW318.85 g/mol
LogP4.11
Rot. Bonds6

About N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethyl-3-methylbutan-1-amine

N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethyl-3-methylbutan-1-amine (PubChem CID 67412965) has the molecular formula C17H23ClN4 and a molecular weight of 318.85 g/mol. Its IUPAC name is N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethyl-3-methylbutan-1-amine.

Molecular Properties

Compound NameN-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethyl-3-methylbutan-1-amine
PubChem CID67412965
Molecular FormulaC17H23ClN4
Molecular Weight318.85 g/mol
Exact Mass318.16
IUPAC NameN-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethyl-3-methylbutan-1-amine
SMILESCCN(CCC(C)C)N=C(c1ccccc1Cl)n1ccnc1
InChIInChI=1S/C17H23ClN4/c1-4-22(11-9-14(2)3)20-17(21-12-10-19-13-21)15-7-5-6-8-16(15)18/h5-8,10,12-14H,4,9,11H2,1-3H3
InChIKeyVHPYWVLETZVXOU-UHFFFAOYSA-N
XLogP4.11
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethyl-3-methylbutan-1-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-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine
CID 87389277
N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-hexylhexan-1-amine
CID 87390015
N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-methylmethanamine
CID 67414581
4-tert-butyl-N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethylaniline
CID 87390292
4-tert-butyl-N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethylaniline
CID 67414712
N-ethyl-N-[(Z)-[imidazol-1-yl-[2-(2-phenoxyethoxy)phenyl]methylidene]amino]ethanamine
CID 87390011
(3-chloro-2-methylphenyl)-imidazol-1-ylmethanone
CID 110463733
N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide
CID 112722736
N-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine
CID 67415072
N-[[imidazol-1-yl-[2-(2-phenylethoxy)phenyl]methylidene]amino]-N-methylmethanamine
CID 67414235
N-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine
CID 87390434
1-(2-chlorophenyl)-2-(3-methylbutylsulfinyl)ethanone
CID 107768059

Frequently Asked Questions

What is the IUPAC name of N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethyl-3-methylbutan-1-amine?
The IUPAC name of N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethyl-3-methylbutan-1-amine (CID 67412965) is N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethyl-3-methylbutan-1-amine.
What is the SMILES notation for N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethyl-3-methylbutan-1-amine?
The canonical SMILES for N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethyl-3-methylbutan-1-amine is CCN(CCC(C)C)N=C(c1ccccc1Cl)n1ccnc1.
What is the InChIKey of N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethyl-3-methylbutan-1-amine?
The InChIKey is VHPYWVLETZVXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4/c1-4-22(11-9-14(2)3)20-17(21-12-10-19-13-21)15-7-5-6-8-16(15)18/h5-8,10,12-14H,4,9,11H2,1-3H3.
What are the key properties of N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethyl-3-methylbutan-1-amine?
N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethyl-3-methylbutan-1-amine has a molecular weight of 318.85 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethyl-3-methylbutan-1-amine is sourced from PubChem (CID 67412965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).