3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide

C21H25N3O2 — CID 17007896

IUPAC3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide
SMILESCCC(C)Cn1c(CNC(=O)c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C21H25N3O2/c1-4-15(2)14-24-19-11-6-5-10-18(19)23-20(24)13-22-21(25)16-8-7-9-17(12-16)26-3/h5-12,15H,4,13-14H2,1-3H3,(H,22,25)
InChIKeyYBDBOJKPNJXYAC-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.02
Rot. Bonds7

About 3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide

3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide (PubChem CID 17007896) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide
PubChem CID17007896
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide
SMILESCCC(C)Cn1c(CNC(=O)c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C21H25N3O2/c1-4-15(2)14-24-19-11-6-5-10-18(19)23-20(24)13-22-21(25)16-8-7-9-17(12-16)26-3/h5-12,15H,4,13-14H2,1-3H3,(H,22,25)
InChIKeyYBDBOJKPNJXYAC-UHFFFAOYSA-N
XLogP4.02
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007901
3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007935
N-[[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide
CID 17007958
3-methoxy-N-[[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008013
3-methoxy-N-[[1-(2-morpholin-4-yl-2-oxoethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008033
N-[[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-3-methoxybenzamide
CID 17008010
4-methoxy-N-[[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008749
3-chloro-N-[5-[1-(2-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990410
N-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17006669
3-methoxy-N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007945
3-methoxy-N-[2-(2-methylbenzimidazol-1-yl)ethyl]benzamide
CID 40716416
N-[[1-[2-(4-methoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17029468

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide (CID 17007896) is 3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide is CCC(C)Cn1c(CNC(=O)c2cccc(OC)c2)nc2ccccc21.
What is the InChIKey of 3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide?
The InChIKey is YBDBOJKPNJXYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-4-15(2)14-24-19-11-6-5-10-18(19)23-20(24)13-22-21(25)16-8-7-9-17(12-16)26-3/h5-12,15H,4,13-14H2,1-3H3,(H,22,25).
What are the key properties of 3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide?
3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide has a molecular weight of 351.45 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17007896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).