2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole

C29H26N2O — CID 18811235

IUPAC2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
SMILESCOc1ccc2cc(C(C)c3nc4ccccc4n3C/C=C/c3ccccc3)ccc2c1
InChIInChI=1S/C29H26N2O/c1-21(23-14-15-25-20-26(32-2)17-16-24(25)19-23)29-30-27-12-6-7-13-28(27)31(29)18-8-11-22-9-4-3-5-10-22/h3-17,19-21H,18H2,1-2H3/b11-8+
InChIKeyJLSOLTLJDGSVPN-DHZHZOJOSA-N
MW418.54 g/mol
LogP7.06
Rot. Bonds6

About 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole

2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole (PubChem CID 18811235) has the molecular formula C29H26N2O and a molecular weight of 418.54 g/mol. Its IUPAC name is 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole.

Molecular Properties

Compound Name2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
PubChem CID18811235
Molecular FormulaC29H26N2O
Molecular Weight418.54 g/mol
Exact Mass418.20
IUPAC Name2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
SMILESCOc1ccc2cc(C(C)c3nc4ccccc4n3C/C=C/c3ccccc3)ccc2c1
InChIInChI=1S/C29H26N2O/c1-21(23-14-15-25-20-26(32-2)17-16-24(25)19-23)29-30-27-12-6-7-13-28(27)31(29)18-8-11-22-9-4-3-5-10-22/h3-17,19-21H,18H2,1-2H3/b11-8+
InChIKeyJLSOLTLJDGSVPN-DHZHZOJOSA-N
XLogP7.06
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811190
1-(2-methoxyethyl)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 51430294
2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1-[(Z)-3-phenylprop-2-enyl]benzimidazole
CID 40592569
1-hexyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811183
1-[2-(4-chlorophenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 18811218
N,N-diethyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]acetamide
CID 16996375
2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 16987231
1-[3-(4-butan-2-ylphenoxy)propyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 16996355
2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]-N,N-dipropylacetamide
CID 16996377
1-[2-(2,4-dimethylphenoxy)ethyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 16996324
2-[(3-methoxyphenoxy)methyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 16998094
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 16996402

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
The IUPAC name of 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole (CID 18811235) is 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole.
What is the SMILES notation for 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
The canonical SMILES for 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole is COc1ccc2cc(C(C)c3nc4ccccc4n3C/C=C/c3ccccc3)ccc2c1.
What is the InChIKey of 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
The InChIKey is JLSOLTLJDGSVPN-DHZHZOJOSA-N. The full InChI is InChI=1S/C29H26N2O/c1-21(23-14-15-25-20-26(32-2)17-16-24(25)19-23)29-30-27-12-6-7-13-28(27)31(29)18-8-11-22-9-4-3-5-10-22/h3-17,19-21H,18H2,1-2H3/b11-8+.
What are the key properties of 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole?
2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole has a molecular weight of 418.54 g/mol, XLogP of 7.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole is sourced from PubChem (CID 18811235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).