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

C27H23N3O2 — CID 17007607

IUPAC2-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1nc2ccccc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C27H23N3O2/c1-32-25-13-7-4-10-22(25)27(31)28-17-26-29-23-11-5-6-12-24(23)30(26)18-19-14-15-20-8-2-3-9-21(20)16-19/h2-16H,17-18H2,1H3,(H,28,31)
InChIKeyJFDYFOIZZHTSPH-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.18
Rot. Bonds6

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

2-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide (PubChem CID 17007607) has the molecular formula C27H23N3O2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide
PubChem CID17007607
Molecular FormulaC27H23N3O2
Molecular Weight421.50 g/mol
Exact Mass421.18
IUPAC Name2-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide
SMILESCOc1ccccc1C(=O)NCc1nc2ccccc2n1Cc1ccc2ccccc2c1
InChIInChI=1S/C27H23N3O2/c1-32-25-13-7-4-10-22(25)27(31)28-17-26-29-23-11-5-6-12-24(23)30(26)18-19-14-15-20-8-2-3-9-21(20)16-19/h2-16H,17-18H2,1H3,(H,28,31)
InChIKeyJFDYFOIZZHTSPH-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

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Related Compounds

4-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008719
N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
CID 17007602
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 17007570
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
CID 17007688
4-methoxy-N-[2-[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976709
N-[[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
CID 17007684
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17006669
2-methoxy-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007722
2-methoxy-N-[[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17007646
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
CID 16982855
N-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008546

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 2-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide (CID 17007607) is 2-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 2-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 2-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide is COc1ccccc1C(=O)NCc1nc2ccccc2n1Cc1ccc2ccccc2c1.
What is the InChIKey of 2-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide?
The InChIKey is JFDYFOIZZHTSPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2/c1-32-25-13-7-4-10-22(25)27(31)28-17-26-29-23-11-5-6-12-24(23)30(26)18-19-14-15-20-8-2-3-9-21(20)16-19/h2-16H,17-18H2,1H3,(H,28,31).
What are the key properties of 2-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide?
2-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 2-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17007607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).