N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide

C24H31N3O3 — CID 16976831

IUPACN-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCCCCCCn1c(CCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C24H31N3O3/c1-4-5-6-9-16-27-20-11-8-7-10-19(20)26-23(27)14-15-25-24(28)18-12-13-21(29-2)22(17-18)30-3/h7-8,10-13,17H,4-6,9,14-16H2,1-3H3,(H,25,28)
InChIKeyCQXUKZNHXBRKCX-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.61
Rot. Bonds11

About N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide

N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide (PubChem CID 16976831) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
PubChem CID16976831
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
SMILESCCCCCCn1c(CCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21
InChIInChI=1S/C24H31N3O3/c1-4-5-6-9-16-27-20-11-8-7-10-19(20)26-23(27)14-15-25-24(28)18-12-13-21(29-2)22(17-18)30-3/h7-8,10-13,17H,4-6,9,14-16H2,1-3H3,(H,25,28)
InChIKeyCQXUKZNHXBRKCX-UHFFFAOYSA-N
XLogP4.61
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dimethoxy-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983788
N-[3-(1-butylbenzimidazol-2-yl)propyl]-3,4-dimethoxybenzamide
CID 4688660
3,4-dimethoxy-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976863
3,4-dimethoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]benzamide
CID 4548357
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 3237594
4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976682
3,4-dimethoxy-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976918
3,4-dimethoxy-N-[2-[1-(3-naphthalen-1-yloxypropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976917
2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976201
N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16976194
N-[3-(1-decylbenzimidazol-2-yl)propyl]-3,4,5-trimethoxybenzamide
CID 16983942
N-[2-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3,4-dimethoxybenzamide
CID 16976894

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide (CID 16976831) is N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide is CCCCCCn1c(CCNC(=O)c2ccc(OC)c(OC)c2)nc2ccccc21.
What is the InChIKey of N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
The InChIKey is CQXUKZNHXBRKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-4-5-6-9-16-27-20-11-8-7-10-19(20)26-23(27)14-15-25-24(28)18-12-13-21(29-2)22(17-18)30-3/h7-8,10-13,17H,4-6,9,14-16H2,1-3H3,(H,25,28).
What are the key properties of N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide?
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide has a molecular weight of 409.53 g/mol, XLogP of 4.61, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 16976831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).