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

C26H34ClN3O — CID 16977909

IUPAC3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide
SMILESCCCCCCCCCCn1c(CCNC(=O)c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C26H34ClN3O/c1-2-3-4-5-6-7-8-11-19-30-24-16-10-9-15-23(24)29-25(30)17-18-28-26(31)21-13-12-14-22(27)20-21/h9-10,12-16,20H,2-8,11,17-19H2,1H3,(H,28,31)
InChIKeyFOBIGALJFYJJGV-UHFFFAOYSA-N
MW440.03 g/mol
LogP6.80
Rot. Bonds13

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

3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide (PubChem CID 16977909) has the molecular formula C26H34ClN3O and a molecular weight of 440.03 g/mol. Its IUPAC name is 3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide
PubChem CID16977909
Molecular FormulaC26H34ClN3O
Molecular Weight440.03 g/mol
Exact Mass439.24
IUPAC Name3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide
SMILESCCCCCCCCCCn1c(CCNC(=O)c2cccc(Cl)c2)nc2ccccc21
InChIInChI=1S/C26H34ClN3O/c1-2-3-4-5-6-7-8-11-19-30-24-16-10-9-15-23(24)29-25(30)17-18-28-26(31)21-13-12-14-22(27)20-21/h9-10,12-16,20H,2-8,11,17-19H2,1H3,(H,28,31)
InChIKeyFOBIGALJFYJJGV-UHFFFAOYSA-N
XLogP6.80
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.03
LogP ≤ 56.80
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

3-chloro-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983472
3-chloro-N-[(1-octadecylbenzimidazol-2-yl)methyl]benzamide
CID 17008230
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16975728
3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990259
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
3-bromo-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16983316
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide
CID 16983150
4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16984573
3-chloro-N-[5-[1-(3-methylbutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990411
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965865
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
CID 16976522
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of 3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide (CID 16977909) is 3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide is CCCCCCCCCCn1c(CCNC(=O)c2cccc(Cl)c2)nc2ccccc21.
What is the InChIKey of 3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide?
The InChIKey is FOBIGALJFYJJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34ClN3O/c1-2-3-4-5-6-7-8-11-19-30-24-16-10-9-15-23(24)29-25(30)17-18-28-26(31)21-13-12-14-22(27)20-21/h9-10,12-16,20H,2-8,11,17-19H2,1H3,(H,28,31).
What are the key properties of 3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide?
3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide has a molecular weight of 440.03 g/mol, XLogP of 6.80, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 16977909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).