N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide

C24H31N3O2 — CID 17010098

IUPACN-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
SMILESCCCCCCCn1c(C(C)NC(=O)c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C24H31N3O2/c1-4-5-6-7-10-16-27-22-15-9-8-14-21(22)26-23(27)18(2)25-24(28)19-12-11-13-20(17-19)29-3/h8-9,11-15,17-18H,4-7,10,16H2,1-3H3,(H,25,28)
InChIKeyZZUWINBMRDUJSP-UHFFFAOYSA-N
MW393.53 g/mol
LogP5.51
Rot. Bonds10

About N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide

N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide (PubChem CID 17010098) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
PubChem CID17010098
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
SMILESCCCCCCCn1c(C(C)NC(=O)c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C24H31N3O2/c1-4-5-6-7-10-16-27-22-15-9-8-14-21(22)26-23(27)18(2)25-24(28)19-12-11-13-20(17-19)29-3/h8-9,11-15,17-18H,4-7,10,16H2,1-3H3,(H,25,28)
InChIKeyZZUWINBMRDUJSP-UHFFFAOYSA-N
XLogP5.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.53
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010101
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 17009628
3-methoxy-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17010214
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 17009937
3,4-dimethoxy-N-[1-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 17009941
N-[1-[1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010183
N-[1-[1-[3-(4-tert-butylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3-methoxybenzamide
CID 17010184
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 17009789
N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 17009790
4-methoxy-N-[1-[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009703
3-methoxy-N-[1-(1-methylbenzimidazol-2-yl)ethyl]benzamide
CID 17010086
3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007901

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide (CID 17010098) is N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide is CCCCCCCn1c(C(C)NC(=O)c2cccc(OC)c2)nc2ccccc21.
What is the InChIKey of N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide?
The InChIKey is ZZUWINBMRDUJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-4-5-6-7-10-16-27-22-15-9-8-14-21(22)26-23(27)18(2)25-24(28)19-12-11-13-20(17-19)29-3/h8-9,11-15,17-18H,4-7,10,16H2,1-3H3,(H,25,28).
What are the key properties of N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide?
N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide has a molecular weight of 393.53 g/mol, XLogP of 5.51, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 17010098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).