N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide

C27H35N3O4 — CID 17009816

IUPACN-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2nc3ccccc3n2CCC2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C27H35N3O4/c1-18(28-27(31)20-16-23(32-2)25(34-4)24(17-20)33-3)26-29-21-12-8-9-13-22(21)30(26)15-14-19-10-6-5-7-11-19/h8-9,12-13,16-19H,5-7,10-11,14-15H2,1-4H3,(H,28,31)
InChIKeyDRPNCGQWDDDUPS-UHFFFAOYSA-N
MW465.59 g/mol
LogP5.52
Rot. Bonds9

About N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide

N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide (PubChem CID 17009816) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
PubChem CID17009816
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC NameN-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)NC(C)c2nc3ccccc3n2CCC2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C27H35N3O4/c1-18(28-27(31)20-16-23(32-2)25(34-4)24(17-20)33-3)26-29-21-12-8-9-13-22(21)30(26)15-14-19-10-6-5-7-11-19/h8-9,12-13,16-19H,5-7,10-11,14-15H2,1-4H3,(H,28,31)
InChIKeyDRPNCGQWDDDUPS-UHFFFAOYSA-N
XLogP5.52
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.59
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16967207
N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 17009790
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 17009789
N-[1-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009912
3,4,5-trimethoxy-N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009819
3,4,5-trimethoxy-N-[1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009820
N-[3-[1-(2-cyclohexylethyl)benzimidazol-2-yl]propyl]-3,4,5-trimethoxybenzamide
CID 16983969
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]cyclopropanecarboxamide
CID 16969660
3,4,5-trimethoxy-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009864
N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009863
N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009822
N-[1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009823

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide (CID 17009816) is N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)NC(C)c2nc3ccccc3n2CCC2CCCCC2)cc(OC)c1OC.
What is the InChIKey of N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is DRPNCGQWDDDUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-18(28-27(31)20-16-23(32-2)25(34-4)24(17-20)33-3)26-29-21-12-8-9-13-22(21)30(26)15-14-19-10-6-5-7-11-19/h8-9,12-13,16-19H,5-7,10-11,14-15H2,1-4H3,(H,28,31).
What are the key properties of N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide?
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 465.59 g/mol, XLogP of 5.52, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 17009816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).