1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole

C27H24N2O — CID 18811190

IUPAC1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
SMILESCOc1ccc2cc(C(C)c3nc4ccccc4n3Cc3ccccc3)ccc2c1
InChIInChI=1S/C27H24N2O/c1-19(21-12-13-23-17-24(30-2)15-14-22(23)16-21)27-28-25-10-6-7-11-26(25)29(27)18-20-8-4-3-5-9-20/h3-17,19H,18H2,1-2H3
InChIKeyMKQOAIKFVPEDNS-UHFFFAOYSA-N
MW392.50 g/mol
LogP6.40
Rot. Bonds5

About 1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole

1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole (PubChem CID 18811190) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole.

Molecular Properties

Compound Name1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
PubChem CID18811190
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Name1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
SMILESCOc1ccc2cc(C(C)c3nc4ccccc4n3Cc3ccccc3)ccc2c1
InChIInChI=1S/C27H24N2O/c1-19(21-12-13-23-17-24(30-2)15-14-22(23)16-21)27-28-25-10-6-7-11-26(25)29(27)18-20-8-4-3-5-9-20/h3-17,19H,18H2,1-2H3
InChIKeyMKQOAIKFVPEDNS-UHFFFAOYSA-N
XLogP6.40
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyethyl)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 51430294
2-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 18811235
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
(S)-(1-benzylbenzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 867678
1-benzyl-2-[1-(1-benzylbenzimidazol-2-yl)ethyl]benzimidazole
CID 141183373
N,N-diethyl-2-[2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazol-1-yl]acetamide
CID 16996375
1-[3-(4-butan-2-ylphenoxy)propyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 16996355
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole
CID 16996402
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-[1-(6-methoxynaphthalen-2-yl)ethyl]-1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazole
CID 16996364

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole?
The IUPAC name of 1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole (CID 18811190) is 1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole.
What is the SMILES notation for 1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole?
The canonical SMILES for 1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole is COc1ccc2cc(C(C)c3nc4ccccc4n3Cc3ccccc3)ccc2c1.
What is the InChIKey of 1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole?
The InChIKey is MKQOAIKFVPEDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O/c1-19(21-12-13-23-17-24(30-2)15-14-22(23)16-21)27-28-25-10-6-7-11-26(25)29(27)18-20-8-4-3-5-9-20/h3-17,19H,18H2,1-2H3.
What are the key properties of 1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole?
1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole has a molecular weight of 392.50 g/mol, XLogP of 6.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-[1-(6-methoxynaphthalen-2-yl)ethyl]benzimidazole is sourced from PubChem (CID 18811190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).