N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide

C25H31N3O3 — CID 17008409

IUPACN-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nc3ccccc3n2CCC2CCCCC2)cc1OC
InChIInChI=1S/C25H31N3O3/c1-30-22-13-12-19(16-23(22)31-2)25(29)26-17-24-27-20-10-6-7-11-21(20)28(24)15-14-18-8-4-3-5-9-18/h6-7,10-13,16,18H,3-5,8-9,14-15,17H2,1-2H3,(H,26,29)
InChIKeyWVGUMALJNZHUHI-UHFFFAOYSA-N
MW421.54 g/mol
LogP4.95
Rot. Bonds8

About N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide

N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide (PubChem CID 17008409) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide
PubChem CID17008409
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCc2nc3ccccc3n2CCC2CCCCC2)cc1OC
InChIInChI=1S/C25H31N3O3/c1-30-22-13-12-19(16-23(22)31-2)25(29)26-17-24-27-20-10-6-7-11-21(20)28(24)15-14-18-8-4-3-5-9-18/h6-7,10-13,16,18H,3-5,8-9,14-15,17H2,1-2H3,(H,26,29)
InChIKeyWVGUMALJNZHUHI-UHFFFAOYSA-N
XLogP4.95
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007291
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-4-fluorobenzamide
CID 17008872
N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]-3,4,5-trimethoxybenzamide
CID 16983969
methyl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008513
3,4-dimethoxy-N-[(1-phenacylbenzimidazol-2-yl)methyl]benzamide
CID 17008517
N-[[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide
CID 17008426
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966543
3,4-dimethoxy-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008425
propan-2-yl 2-[2-[[(3,4-dimethoxybenzoyl)amino]methyl]benzimidazol-1-yl]acetate
CID 17008515
N-[5-[1-(2-cyclohexylethyl)benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990772
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009816
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 16974025

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide (CID 17008409) is N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCc2nc3ccccc3n2CCC2CCCCC2)cc1OC.
What is the InChIKey of N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide?
The InChIKey is WVGUMALJNZHUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-30-22-13-12-19(16-23(22)31-2)25(29)26-17-24-27-20-10-6-7-11-21(20)28(24)15-14-18-8-4-3-5-9-18/h6-7,10-13,16,18H,3-5,8-9,14-15,17H2,1-2H3,(H,26,29).
What are the key properties of N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide?
N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide has a molecular weight of 421.54 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-cyclohexylethyl)benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 17008409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).