N-[(4-chlorophenyl)methyl]-2-(1-imidazol-1-ylethenyl)aniline

C18H16ClN3 — CID 3007439

IUPACN-[(4-chlorophenyl)methyl]-2-(1-imidazol-1-ylethenyl)aniline
SMILESC=C(c1ccccc1NCc1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C18H16ClN3/c1-14(22-11-10-20-13-22)17-4-2-3-5-18(17)21-12-15-6-8-16(19)9-7-15/h2-11,13,21H,1,12H2
InChIKeyMEMRARIQLSYOCM-UHFFFAOYSA-N
MW309.80 g/mol
LogP4.67
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(1-imidazol-1-ylethenyl)aniline

N-[(4-chlorophenyl)methyl]-2-(1-imidazol-1-ylethenyl)aniline (PubChem CID 3007439) has the molecular formula C18H16ClN3 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(1-imidazol-1-ylethenyl)aniline.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(1-imidazol-1-ylethenyl)aniline
PubChem CID3007439
Molecular FormulaC18H16ClN3
Molecular Weight309.80 g/mol
Exact Mass309.10
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(1-imidazol-1-ylethenyl)aniline
SMILESC=C(c1ccccc1NCc1ccc(Cl)cc1)n1ccnc1
InChIInChI=1S/C18H16ClN3/c1-14(22-11-10-20-13-22)17-4-2-3-5-18(17)21-12-15-6-8-16(19)9-7-15/h2-11,13,21H,1,12H2
InChIKeyMEMRARIQLSYOCM-UHFFFAOYSA-N
XLogP4.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1-imidazol-1-ylethenyl)aniline?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(1-imidazol-1-ylethenyl)aniline (CID 3007439) is N-[(4-chlorophenyl)methyl]-2-(1-imidazol-1-ylethenyl)aniline.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(1-imidazol-1-ylethenyl)aniline?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(1-imidazol-1-ylethenyl)aniline is C=C(c1ccccc1NCc1ccc(Cl)cc1)n1ccnc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(1-imidazol-1-ylethenyl)aniline?
The InChIKey is MEMRARIQLSYOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3/c1-14(22-11-10-20-13-22)17-4-2-3-5-18(17)21-12-15-6-8-16(19)9-7-15/h2-11,13,21H,1,12H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(1-imidazol-1-ylethenyl)aniline?
N-[(4-chlorophenyl)methyl]-2-(1-imidazol-1-ylethenyl)aniline has a molecular weight of 309.80 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(1-imidazol-1-ylethenyl)aniline is sourced from PubChem (CID 3007439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).