N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide

C27H37N3O — CID 16975728

IUPACN-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
SMILESCCCCCCCCCCCn1c(CCNC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C27H37N3O/c1-2-3-4-5-6-7-8-9-15-22-30-25-19-14-13-18-24(25)29-26(30)20-21-28-27(31)23-16-11-10-12-17-23/h10-14,16-19H,2-9,15,20-22H2,1H3,(H,28,31)
InChIKeyJPKUBDBCMFCPDK-UHFFFAOYSA-N
MW419.61 g/mol
LogP6.54
Rot. Bonds14

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

N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide (PubChem CID 16975728) has the molecular formula C27H37N3O and a molecular weight of 419.61 g/mol. Its IUPAC name is N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
PubChem CID16975728
Molecular FormulaC27H37N3O
Molecular Weight419.61 g/mol
Exact Mass419.29
IUPAC NameN-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
SMILESCCCCCCCCCCCn1c(CCNC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C27H37N3O/c1-2-3-4-5-6-7-8-9-15-22-30-25-19-14-13-18-24(25)29-26(30)20-21-28-27(31)23-16-11-10-12-17-23/h10-14,16-19H,2-9,15,20-22H2,1H3,(H,28,31)
InChIKeyJPKUBDBCMFCPDK-UHFFFAOYSA-N
XLogP6.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.61
LogP ≤ 56.54
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-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965865
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
CID 16976522
4-methyl-N-[2-(1-pentylbenzimidazol-2-yl)ethyl]benzamide
CID 16976514
4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976682
3-chloro-N-[2-(1-decylbenzimidazol-2-yl)ethyl]benzamide
CID 16977909
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16984573
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17030651
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 16976831
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide
CID 16983150

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide?
The IUPAC name of N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide (CID 16975728) is N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide.
What is the SMILES notation for N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide?
The canonical SMILES for N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide is CCCCCCCCCCCn1c(CCNC(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide?
The InChIKey is JPKUBDBCMFCPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O/c1-2-3-4-5-6-7-8-9-15-22-30-25-19-14-13-18-24(25)29-26(30)20-21-28-27(31)23-16-11-10-12-17-23/h10-14,16-19H,2-9,15,20-22H2,1H3,(H,28,31).
What are the key properties of N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide?
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide has a molecular weight of 419.61 g/mol, XLogP of 6.54, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide is sourced from PubChem (CID 16975728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).