N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide

C25H33N3O — CID 16983150

IUPACN-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide
SMILESCCCCCCCn1c(CCCNC(=O)c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C25H33N3O/c1-3-4-5-6-9-18-28-23-15-8-7-14-22(23)27-24(28)16-11-17-26-25(29)21-13-10-12-20(2)19-21/h7-8,10,12-15,19H,3-6,9,11,16-18H2,1-2H3,(H,26,29)
InChIKeyATJXDTCDULUVDX-UHFFFAOYSA-N
MW391.56 g/mol
LogP5.68
Rot. Bonds11

About N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide

N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide (PubChem CID 16983150) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide
PubChem CID16983150
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC NameN-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide
SMILESCCCCCCCn1c(CCCNC(=O)c2cccc(C)c2)nc2ccccc21
InChIInChI=1S/C25H33N3O/c1-3-4-5-6-9-18-28-23-15-8-7-14-22(23)27-24(28)16-11-17-26-25(29)21-13-10-12-20(2)19-21/h7-8,10,12-15,19H,3-6,9,11,16-18H2,1-2H3,(H,26,29)
InChIKeyATJXDTCDULUVDX-UHFFFAOYSA-N
XLogP5.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 55.68
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-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990259
3-bromo-N-[3-(1-octadecylbenzimidazol-2-yl)propyl]benzamide
CID 16983316
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
3-chloro-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16983472
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989287
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide
CID 16982514
2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16982516
3-methyl-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]benzamide
CID 16990344
N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide
CID 17031577
N-[2-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 17030796
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16975728

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide?
The IUPAC name of N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide (CID 16983150) is N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide?
The canonical SMILES for N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide is CCCCCCCn1c(CCCNC(=O)c2cccc(C)c2)nc2ccccc21.
What is the InChIKey of N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide?
The InChIKey is ATJXDTCDULUVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-3-4-5-6-9-18-28-23-15-8-7-14-22(23)27-24(28)16-11-17-26-25(29)21-13-10-12-20(2)19-21/h7-8,10,12-15,19H,3-6,9,11,16-18H2,1-2H3,(H,26,29).
What are the key properties of N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide?
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide has a molecular weight of 391.56 g/mol, XLogP of 5.68, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide is sourced from PubChem (CID 16983150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).