4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide

C27H37N3O — CID 17007112

IUPAC4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCCCCCCCCCn1c(CNC(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C27H37N3O/c1-3-4-5-6-7-8-9-10-13-20-30-25-15-12-11-14-24(25)29-26(30)21-28-27(31)23-18-16-22(2)17-19-23/h11-12,14-19H,3-10,13,20-21H2,1-2H3,(H,28,31)
InChIKeyKSPMKARWFRJCSH-UHFFFAOYSA-N
MW419.61 g/mol
LogP6.81
Rot. Bonds13

About 4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide

4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide (PubChem CID 17007112) has the molecular formula C27H37N3O and a molecular weight of 419.61 g/mol. Its IUPAC name is 4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide
PubChem CID17007112
Molecular FormulaC27H37N3O
Molecular Weight419.61 g/mol
Exact Mass419.29
IUPAC Name4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide
SMILESCCCCCCCCCCCn1c(CNC(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C27H37N3O/c1-3-4-5-6-7-8-9-10-13-20-30-25-15-12-11-14-24(25)29-26(30)21-28-27(31)23-18-16-22(2)17-19-23/h11-12,14-19H,3-10,13,20-21H2,1-2H3,(H,28,31)
InChIKeyKSPMKARWFRJCSH-UHFFFAOYSA-N
XLogP6.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.61
LogP ≤ 56.81
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

4-methyl-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007109
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
CID 16976522
N-[(1-octadecylbenzimidazol-2-yl)methyl]pyridine-4-carboxamide
CID 16965544
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide
CID 16976514
2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide
CID 17006948
N-[[1-(2-ethoxyethyl)benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007225
N-[(1-hexadecylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963923
N-[(1-decylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963920
N-[(1-undecylbenzimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 16963921
N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
CID 17005899
2-methyl-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 17006783

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide?
The IUPAC name of 4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide (CID 17007112) is 4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide.
What is the SMILES notation for 4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide?
The canonical SMILES for 4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide is CCCCCCCCCCCn1c(CNC(=O)c2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of 4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide?
The InChIKey is KSPMKARWFRJCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O/c1-3-4-5-6-7-8-9-10-13-20-30-25-15-12-11-14-24(25)29-26(30)21-28-27(31)23-18-16-22(2)17-19-23/h11-12,14-19H,3-10,13,20-21H2,1-2H3,(H,28,31).
What are the key properties of 4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide?
4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide has a molecular weight of 419.61 g/mol, XLogP of 6.81, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide is sourced from PubChem (CID 17007112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).