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

C22H27N3O — CID 16976514

IUPAC4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide
SMILESCCCCCn1c(CCNC(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C22H27N3O/c1-3-4-7-16-25-20-9-6-5-8-19(20)24-21(25)14-15-23-22(26)18-12-10-17(2)11-13-18/h5-6,8-13H,3-4,7,14-16H2,1-2H3,(H,23,26)
InChIKeyZGSVYWJTLGFFDO-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.51
Rot. Bonds8

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

4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide (PubChem CID 16976514) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide
PubChem CID16976514
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide
SMILESCCCCCn1c(CCNC(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C22H27N3O/c1-3-4-7-16-25-20-9-6-5-8-19(20)24-21(25)14-15-23-22(26)18-12-10-17(2)11-13-18/h5-6,8-13H,3-4,7,14-16H2,1-2H3,(H,23,26)
InChIKeyZGSVYWJTLGFFDO-UHFFFAOYSA-N
XLogP4.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.51
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-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
CID 16976522
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16975728
4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976682
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965865
4-methyl-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007109
4-methyl-N-[(1-undecylbenzimidazol-2-yl)methyl]benzamide
CID 17007112
4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976598
N-[2-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976624
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
4-methyl-N-[2-[1-[2-oxo-2-(propylamino)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030844
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide (CID 16976514) is 4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide is CCCCCn1c(CCNC(=O)c2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of 4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide?
The InChIKey is ZGSVYWJTLGFFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c1-3-4-7-16-25-20-9-6-5-8-19(20)24-21(25)14-15-23-22(26)18-12-10-17(2)11-13-18/h5-6,8-13H,3-4,7,14-16H2,1-2H3,(H,23,26).
What are the key properties of 4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide?
4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide has a molecular weight of 349.48 g/mol, XLogP of 4.51, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 16976514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).