N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-methylmethanamine

C12H13ClN4 — CID 67414581

IUPACN-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-methylmethanamine
SMILESCN(C)N=C(c1ccccc1Cl)n1ccnc1
InChIInChI=1S/C12H13ClN4/c1-16(2)15-12(17-8-7-14-9-17)10-5-3-4-6-11(10)13/h3-9H,1-2H3
InChIKeyYIJQTSHTRPXXSF-UHFFFAOYSA-N
MW248.72 g/mol
LogP2.31
Rot. Bonds2

About N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-methylmethanamine

N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-methylmethanamine (PubChem CID 67414581) has the molecular formula C12H13ClN4 and a molecular weight of 248.72 g/mol. Its IUPAC name is N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-methylmethanamine
PubChem CID67414581
Molecular FormulaC12H13ClN4
Molecular Weight248.72 g/mol
Exact Mass248.08
IUPAC NameN-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-methylmethanamine
SMILESCN(C)N=C(c1ccccc1Cl)n1ccnc1
InChIInChI=1S/C12H13ClN4/c1-16(2)15-12(17-8-7-14-9-17)10-5-3-4-6-11(10)13/h3-9H,1-2H3
InChIKeyYIJQTSHTRPXXSF-UHFFFAOYSA-N
XLogP2.31
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.72
LogP ≤ 52.31
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-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-ethyl-3-methylbutan-1-amine
CID 67412965
N-[(Z)-[imidazol-1-yl-[2-[(Z)-prop-1-enoxy]phenyl]methylidene]amino]-N-methylmethanamine
CID 87390434
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-[[imidazol-1-yl-[2-(2-phenylethoxy)phenyl]methylidene]amino]-N-methylmethanamine
CID 67414235
N-[(E)-[[2-[(4-ethylphenyl)methoxy]phenyl]-imidazol-1-ylmethylidene]amino]-N-methylmethanamine
CID 87389655
N-[[imidazol-1-yl-[2-(2-phenoxyethylsulfanyl)phenyl]methylidene]amino]-N-methylmethanamine
CID 67415072
[2-[N-(dimethylamino)-C-imidazol-1-ylcarbonimidoyl]phenyl] 3-phenylprop-2-enoate
CID 141228676
4-[2-[2-[N-(dimethylamino)-C-imidazol-1-ylcarbonimidoyl]phenoxy]ethyl]-N,N-dimethylaniline
CID 67413593
N-[(Z)-[imidazol-1-yl-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]methylidene]amino]-N-methylmethanamine
CID 87389344

Frequently Asked Questions

What is the IUPAC name of N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-methylmethanamine (CID 67414581) is N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-methylmethanamine is CN(C)N=C(c1ccccc1Cl)n1ccnc1.
What is the InChIKey of N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-methylmethanamine?
The InChIKey is YIJQTSHTRPXXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4/c1-16(2)15-12(17-8-7-14-9-17)10-5-3-4-6-11(10)13/h3-9H,1-2H3.
What are the key properties of N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-methylmethanamine?
N-[[(2-chlorophenyl)-imidazol-1-ylmethylidene]amino]-N-methylmethanamine has a molecular weight of 248.72 g/mol, XLogP of 2.31, 2 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-methylmethanamine is sourced from PubChem (CID 67414581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).