4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide

C28H25N3O2 — CID 16976708

IUPAC4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2nc3ccccc3n2Cc2cccc3ccccc23)cc1
InChIInChI=1S/C28H25N3O2/c1-33-23-15-13-21(14-16-23)28(32)29-18-17-27-30-25-11-4-5-12-26(25)31(27)19-22-9-6-8-20-7-2-3-10-24(20)22/h2-16H,17-19H2,1H3,(H,29,32)
InChIKeyJXZZEHVCPHRACL-UHFFFAOYSA-N
MW435.53 g/mol
LogP5.22
Rot. Bonds7

About 4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide

4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16976708) has the molecular formula C28H25N3O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID16976708
Molecular FormulaC28H25N3O2
Molecular Weight435.53 g/mol
Exact Mass435.19
IUPAC Name4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1ccc(C(=O)NCCc2nc3ccccc3n2Cc2cccc3ccccc23)cc1
InChIInChI=1S/C28H25N3O2/c1-33-23-15-13-21(14-16-23)28(32)29-18-17-27-30-25-11-4-5-12-26(25)31(27)19-22-9-6-8-20-7-2-3-10-24(20)22/h2-16H,17-19H2,1H3,(H,29,32)
InChIKeyJXZZEHVCPHRACL-UHFFFAOYSA-N
XLogP5.22
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.53
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 16976665
4-methoxy-N-[2-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976709
N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982222
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976701
4-methyl-N-[5-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991902
4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976738
2-(4-methoxyphenyl)-N-[2-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979574
4-methoxy-N-[5-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991253
4-methoxy-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976706
4-bromo-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977471
4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976682
N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974420

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide (CID 16976708) is 4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide is COc1ccc(C(=O)NCCc2nc3ccccc3n2Cc2cccc3ccccc23)cc1.
What is the InChIKey of 4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is JXZZEHVCPHRACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2/c1-33-23-15-13-21(14-16-23)28(32)29-18-17-27-30-25-11-4-5-12-26(25)31(27)19-22-9-6-8-20-7-2-3-10-24(20)22/h2-16H,17-19H2,1H3,(H,29,32).
What are the key properties of 4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide?
4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 435.53 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16976708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).