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

C27H23N3O2 — CID 17008719

IUPAC4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc3ccccc3n2Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C27H23N3O2/c1-32-23-14-12-21(13-15-23)27(31)28-17-26-29-24-8-4-5-9-25(24)30(26)18-19-10-11-20-6-2-3-7-22(20)16-19/h2-16H,17-18H2,1H3,(H,28,31)
InChIKeyFXCHHUNEZWJRNI-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.18
Rot. Bonds6

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

4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide (PubChem CID 17008719) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide
PubChem CID17008719
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC Name4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide
SMILESCOc1ccc(C(=O)NCc2nc3ccccc3n2Cc2ccc3ccccc3c2)cc1
InChIInChI=1S/C27H23N3O2/c1-32-23-14-12-21(13-15-23)27(31)28-17-26-29-24-8-4-5-9-25(24)30(26)18-19-10-11-20-6-2-3-7-22(20)16-19/h2-16H,17-18H2,1H3,(H,28,31)
InChIKeyFXCHHUNEZWJRNI-UHFFFAOYSA-N
XLogP5.18
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-methoxy-N-[2-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976709
N-[(1-benzylbenzimidazol-2-yl)methyl]-4-methoxybenzamide
CID 17008696
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17006669
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17009016
2-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide
CID 17007607
4-methoxy-N-[2-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976706
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006058
N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007129
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]thiophene-2-carboxamide
CID 16973758
ethyl 2-[2-[[(4-methoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008827
3,4-dimethoxy-N-[5-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990931
N-[2-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976701

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide (CID 17008719) is 4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide is COc1ccc(C(=O)NCc2nc3ccccc3n2Cc2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide?
The InChIKey is FXCHHUNEZWJRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2/c1-32-23-14-12-21(13-15-23)27(31)28-17-26-29-24-8-4-5-9-25(24)30(26)18-19-10-11-20-6-2-3-7-22(20)16-19/h2-16H,17-18H2,1H3,(H,28,31).
What are the key properties of 4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide?
4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide has a molecular weight of 421.50 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17008719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).