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

C27H37N3O2 — CID 17010101

IUPACN-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
SMILESCCCCCCCCCCn1c(C(C)NC(=O)c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C27H37N3O2/c1-4-5-6-7-8-9-10-13-19-30-25-18-12-11-17-24(25)29-26(30)21(2)28-27(31)22-15-14-16-23(20-22)32-3/h11-12,14-18,20-21H,4-10,13,19H2,1-3H3,(H,28,31)
InChIKeyFRIWDKBXQCZLKK-UHFFFAOYSA-N
MW435.61 g/mol
LogP6.68
Rot. Bonds13

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

N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide (PubChem CID 17010101) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
PubChem CID17010101
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC NameN-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
SMILESCCCCCCCCCCn1c(C(C)NC(=O)c2cccc(OC)c2)nc2ccccc21
InChIInChI=1S/C27H37N3O2/c1-4-5-6-7-8-9-10-13-19-30-25-18-12-11-17-24(25)29-26(30)21(2)28-27(31)22-15-14-16-23(20-22)32-3/h11-12,14-18,20-21H,4-10,13,19H2,1-3H3,(H,28,31)
InChIKeyFRIWDKBXQCZLKK-UHFFFAOYSA-N
XLogP6.68
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.61
LogP ≤ 56.68
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-heptylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide
CID 17010098
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-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide?
The IUPAC name of N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide (CID 17010101) is N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide?
The canonical SMILES for N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide is CCCCCCCCCCn1c(C(C)NC(=O)c2cccc(OC)c2)nc2ccccc21.
What is the InChIKey of N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide?
The InChIKey is FRIWDKBXQCZLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-4-5-6-7-8-9-10-13-19-30-25-18-12-11-17-24(25)29-26(30)21(2)28-27(31)22-15-14-16-23(20-22)32-3/h11-12,14-18,20-21H,4-10,13,19H2,1-3H3,(H,28,31).
What are the key properties of N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide?
N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide has a molecular weight of 435.61 g/mol, XLogP of 6.68, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-decylbenzimidazol-2-yl)ethyl]-3-methoxybenzamide is sourced from PubChem (CID 17010101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).