N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide

C27H29N3O2 — CID 17007602

IUPACN-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
SMILESCCC(C)c1ccc(Cn2c(CNC(=O)c3ccccc3OC)nc3ccccc32)cc1
InChIInChI=1S/C27H29N3O2/c1-4-19(2)21-15-13-20(14-16-21)18-30-24-11-7-6-10-23(24)29-26(30)17-28-27(31)22-9-5-8-12-25(22)32-3/h5-16,19H,4,17-18H2,1-3H3,(H,28,31)
InChIKeyVRJSDPZGIYMRFL-UHFFFAOYSA-N
MW427.55 g/mol
LogP5.54
Rot. Bonds8

About N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide

N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide (PubChem CID 17007602) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
PubChem CID17007602
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC NameN-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
SMILESCCC(C)c1ccc(Cn2c(CNC(=O)c3ccccc3OC)nc3ccccc32)cc1
InChIInChI=1S/C27H29N3O2/c1-4-19(2)21-15-13-20(14-16-21)18-30-24-11-7-6-10-23(24)29-26(30)17-28-27(31)22-9-5-8-12-25(22)32-3/h5-16,19H,4,17-18H2,1-3H3,(H,28,31)
InChIKeyVRJSDPZGIYMRFL-UHFFFAOYSA-N
XLogP5.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide with MolForge

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Related Compounds

2-methoxy-N-[[1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl]benzamide
CID 17007607
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methoxybenzamide
CID 17007568
N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]propanamide
CID 17006059
2-methoxy-N-[(1-propylbenzimidazol-2-yl)methyl]benzamide
CID 17007570
N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975742
N-[5-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16994166
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
CID 16982855
N-[5-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]-3,4-dimethoxybenzamide
CID 16990926
N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide
CID 17007688
2-ethyl-N-[[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]butanamide
CID 17006384
N-[5-[1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methoxybenzamide
CID 16990175
N-[2-[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16978475

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide?
The IUPAC name of N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide (CID 17007602) is N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide?
The canonical SMILES for N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide is CCC(C)c1ccc(Cn2c(CNC(=O)c3ccccc3OC)nc3ccccc32)cc1.
What is the InChIKey of N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide?
The InChIKey is VRJSDPZGIYMRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-4-19(2)21-15-13-20(14-16-21)18-30-24-11-7-6-10-23(24)29-26(30)17-28-27(31)22-9-5-8-12-25(22)32-3/h5-16,19H,4,17-18H2,1-3H3,(H,28,31).
What are the key properties of N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide?
N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide has a molecular weight of 427.55 g/mol, XLogP of 5.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-butan-2-ylphenyl)methyl]benzimidazol-2-yl]methyl]-2-methoxybenzamide is sourced from PubChem (CID 17007602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).