N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine

C16H21ClN4 — CID 87389277

IUPACN-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine
SMILESCCCN(CCC)/N=C(\c1ccccc1Cl)n1ccnc1
InChIInChI=1S/C16H21ClN4/c1-3-10-21(11-4-2)19-16(20-12-9-18-13-20)14-7-5-6-8-15(14)17/h5-9,12-13H,3-4,10-11H2,1-2H3/b19-16+
InChIKeyQLWXDZFQPVVTRV-KNTRCKAVSA-N
MW304.82 g/mol
LogP3.87
Rot. Bonds6

About N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine

N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine (PubChem CID 87389277) has the molecular formula C16H21ClN4 and a molecular weight of 304.82 g/mol. Its IUPAC name is N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine
PubChem CID87389277
Molecular FormulaC16H21ClN4
Molecular Weight304.82 g/mol
Exact Mass304.15
IUPAC NameN-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine
SMILESCCCN(CCC)/N=C(\c1ccccc1Cl)n1ccnc1
InChIInChI=1S/C16H21ClN4/c1-3-10-21(11-4-2)19-16(20-12-9-18-13-20)14-7-5-6-8-15(14)17/h5-9,12-13H,3-4,10-11H2,1-2H3/b19-16+
InChIKeyQLWXDZFQPVVTRV-KNTRCKAVSA-N
XLogP3.87
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.87
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'}

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Related Compounds

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
N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-ethyl-3-methylbutan-1-amine
CID 67412965
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
N-[(E)-[[2-[(4-ethylphenyl)methoxy]phenyl]-imidazol-1-ylmethylidene]amino]-N-methylmethanamine
CID 87389655
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
(3-chloro-2-methylphenyl)-imidazol-1-ylmethanone
CID 110463733
4-[2-[2-[N-(dimethylamino)-C-imidazol-1-ylcarbonimidoyl]phenoxy]ethyl]-N,N-dimethylaniline
CID 67413593
N-(4-chlorophenyl)-N-propylimidazole-1-carbothioamide
CID 88795254

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine?
The IUPAC name of N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine (CID 87389277) is N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine.
What is the SMILES notation for N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine?
The canonical SMILES for N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine is CCCN(CCC)/N=C(\c1ccccc1Cl)n1ccnc1.
What is the InChIKey of N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine?
The InChIKey is QLWXDZFQPVVTRV-KNTRCKAVSA-N. The full InChI is InChI=1S/C16H21ClN4/c1-3-10-21(11-4-2)19-16(20-12-9-18-13-20)14-7-5-6-8-15(14)17/h5-9,12-13H,3-4,10-11H2,1-2H3/b19-16+.
What are the key properties of N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine?
N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine has a molecular weight of 304.82 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-propylpropan-1-amine is sourced from PubChem (CID 87389277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).