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

C28H39N3O — CID 16982202

IUPACN-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
SMILESCCCCCCCCCCCn1c(CCCNC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C28H39N3O/c1-2-3-4-5-6-7-8-9-15-23-31-26-20-14-13-19-25(26)30-27(31)21-16-22-29-28(32)24-17-11-10-12-18-24/h10-14,17-20H,2-9,15-16,21-23H2,1H3,(H,29,32)
InChIKeyPOBCMQLBNDVUSV-UHFFFAOYSA-N
MW433.64 g/mol
LogP6.93
Rot. Bonds15

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

N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide (PubChem CID 16982202) has the molecular formula C28H39N3O and a molecular weight of 433.64 g/mol. Its IUPAC name is N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide.

Molecular Properties

Compound NameN-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
PubChem CID16982202
Molecular FormulaC28H39N3O
Molecular Weight433.64 g/mol
Exact Mass433.31
IUPAC NameN-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
SMILESCCCCCCCCCCCn1c(CCCNC(=O)c2ccccc2)nc2ccccc21
InChIInChI=1S/C28H39N3O/c1-2-3-4-5-6-7-8-9-15-23-31-26-20-14-13-19-25(26)30-27(31)21-16-22-29-28(32)24-17-11-10-12-18-24/h10-14,17-20H,2-9,15-16,21-23H2,1H3,(H,29,32)
InChIKeyPOBCMQLBNDVUSV-UHFFFAOYSA-N
XLogP6.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.64
LogP ≤ 56.93
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-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16975728
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
4-chloro-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16984573
3-bromo-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16983316
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide
CID 16983150
3-chloro-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983472
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528
N-[3-(1-butylbenzimidazol-2-yl)propyl]-4-methoxybenzamide
CID 16984092
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 16965865
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
CID 16976522
3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990259

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide?
The IUPAC name of N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide (CID 16982202) is N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide.
What is the SMILES notation for N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide?
The canonical SMILES for N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide is CCCCCCCCCCCn1c(CCCNC(=O)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide?
The InChIKey is POBCMQLBNDVUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O/c1-2-3-4-5-6-7-8-9-15-23-31-26-20-14-13-19-25(26)30-27(31)21-16-22-29-28(32)24-17-11-10-12-18-24/h10-14,17-20H,2-9,15-16,21-23H2,1H3,(H,29,32).
What are the key properties of N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide?
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide has a molecular weight of 433.64 g/mol, XLogP of 6.93, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide is sourced from PubChem (CID 16982202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).