2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide

C25H41N3O — CID 16980820

IUPAC2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide
SMILESCCCCCCCCCCCn1c(CCCNC(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C25H41N3O/c1-4-5-6-7-8-9-10-11-14-20-28-23-17-13-12-16-22(23)27-24(28)18-15-19-26-25(29)21(2)3/h12-13,16-17,21H,4-11,14-15,18-20H2,1-3H3,(H,26,29)
InChIKeyTUJWTKBYYSBKDX-UHFFFAOYSA-N
MW399.62 g/mol
LogP6.27
Rot. Bonds15

About 2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide

2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide (PubChem CID 16980820) has the molecular formula C25H41N3O and a molecular weight of 399.62 g/mol. Its IUPAC name is 2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide
PubChem CID16980820
Molecular FormulaC25H41N3O
Molecular Weight399.62 g/mol
Exact Mass399.32
IUPAC Name2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide
SMILESCCCCCCCCCCCn1c(CCCNC(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C25H41N3O/c1-4-5-6-7-8-9-10-11-14-20-28-23-17-13-12-16-22(23)27-24(28)18-15-19-26-25(29)21(2)3/h12-13,16-17,21H,4-11,14-15,18-20H2,1-3H3,(H,26,29)
InChIKeyTUJWTKBYYSBKDX-UHFFFAOYSA-N
XLogP6.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.62
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811164
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811165
N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide
CID 16988638
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986870
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide
CID 16985199
N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986709
N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide
CID 16981267
N-[3-(1-decylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986712
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide?
The IUPAC name of 2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide (CID 16980820) is 2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide is CCCCCCCCCCCn1c(CCCNC(=O)C(C)C)nc2ccccc21.
What is the InChIKey of 2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide?
The InChIKey is TUJWTKBYYSBKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H41N3O/c1-4-5-6-7-8-9-10-11-14-20-28-23-17-13-12-16-22(23)27-24(28)18-15-19-26-25(29)21(2)3/h12-13,16-17,21H,4-11,14-15,18-20H2,1-3H3,(H,26,29).
What are the key properties of 2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide?
2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide has a molecular weight of 399.62 g/mol, XLogP of 6.27, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide is sourced from PubChem (CID 16980820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).