5-[(E)-(7-chloro-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]-1H-imidazole

C14H13ClN2 — CID 6540037

IUPAC5-[(E)-(7-chloro-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]-1H-imidazole
SMILESClc1ccc2c(c1)/C(=C/c1cnc[nH]1)CCC2
InChIInChI=1S/C14H13ClN2/c15-12-5-4-10-2-1-3-11(14(10)7-12)6-13-8-16-9-17-13/h4-9H,1-3H2,(H,16,17)/b11-6+
InChIKeyIXZHKLPXEBEKJV-IZZDOVSWSA-N
MW244.73 g/mol
LogP3.94
Rot. Bonds1

About 5-[(E)-(7-chloro-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]-1H-imidazole

5-[(E)-(7-chloro-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]-1H-imidazole (PubChem CID 6540037) has the molecular formula C14H13ClN2 and a molecular weight of 244.73 g/mol. Its IUPAC name is 5-[(E)-(7-chloro-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(E)-(7-chloro-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]-1H-imidazole
PubChem CID6540037
Molecular FormulaC14H13ClN2
Molecular Weight244.73 g/mol
Exact Mass244.08
IUPAC Name5-[(E)-(7-chloro-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]-1H-imidazole
SMILESClc1ccc2c(c1)/C(=C/c1cnc[nH]1)CCC2
InChIInChI=1S/C14H13ClN2/c15-12-5-4-10-2-1-3-11(14(10)7-12)6-13-8-16-9-17-13/h4-9H,1-3H2,(H,16,17)/b11-6+
InChIKeyIXZHKLPXEBEKJV-IZZDOVSWSA-N
XLogP3.94
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-[(E)-(7-chloro-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]-1H-imidazole 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

CID 448632
CID 448632
CID 6540030
CID 6540030
CID 6540032
CID 6540032
CID 6540033
CID 6540033
CID 6540034
CID 6540034
CID 6540040
CID 6540040
CID 6540044
CID 6540044
CID 10632725
CID 10632725
CID 14827778
CID 14827778
CID 45120708
CID 45120708
CID 6540031
CID 6540031
CID 6540041
CID 6540041

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-(7-chloro-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]-1H-imidazole?
The IUPAC name of 5-[(E)-(7-chloro-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]-1H-imidazole (CID 6540037) is 5-[(E)-(7-chloro-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(E)-(7-chloro-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]-1H-imidazole?
The canonical SMILES for 5-[(E)-(7-chloro-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]-1H-imidazole is Clc1ccc2c(c1)/C(=C/c1cnc[nH]1)CCC2.
What is the InChIKey of 5-[(E)-(7-chloro-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]-1H-imidazole?
The InChIKey is IXZHKLPXEBEKJV-IZZDOVSWSA-N. The full InChI is InChI=1S/C14H13ClN2/c15-12-5-4-10-2-1-3-11(14(10)7-12)6-13-8-16-9-17-13/h4-9H,1-3H2,(H,16,17)/b11-6+.
What are the key properties of 5-[(E)-(7-chloro-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]-1H-imidazole?
5-[(E)-(7-chloro-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]-1H-imidazole has a molecular weight of 244.73 g/mol, XLogP of 3.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-(7-chloro-3,4-dihydro-2H-naphthalen-1-ylidene)methyl]-1H-imidazole is sourced from PubChem (CID 6540037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).