N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide

C25H33N3O — CID 16982514

IUPACN-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide
SMILESCCCCCCn1c(CCCNC(=O)c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C25H33N3O/c1-4-5-6-9-17-28-23-12-8-7-11-22(23)27-24(28)13-10-16-26-25(29)21-15-14-19(2)18-20(21)3/h7-8,11-12,14-15,18H,4-6,9-10,13,16-17H2,1-3H3,(H,26,29)
InChIKeyHNIGCQBRCPKVPJ-UHFFFAOYSA-N
MW391.56 g/mol
LogP5.60
Rot. Bonds10

About N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide

N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide (PubChem CID 16982514) has the molecular formula C25H33N3O and a molecular weight of 391.56 g/mol. Its IUPAC name is N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide
PubChem CID16982514
Molecular FormulaC25H33N3O
Molecular Weight391.56 g/mol
Exact Mass391.26
IUPAC NameN-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide
SMILESCCCCCCn1c(CCCNC(=O)c2ccc(C)cc2C)nc2ccccc21
InChIInChI=1S/C25H33N3O/c1-4-5-6-9-17-28-23-12-8-7-11-22(23)27-24(28)13-10-16-26-25(29)21-15-14-19(2)18-20(21)3/h7-8,11-12,14-15,18H,4-6,9-10,13,16-17H2,1-3H3,(H,26,29)
InChIKeyHNIGCQBRCPKVPJ-UHFFFAOYSA-N
XLogP5.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.56
LogP ≤ 55.60
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

2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16982516
2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989608
2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16982550
2,4-dimethyl-N-[3-[1-(2-phenylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982548
2,4-dimethyl-N-[(1-nonylbenzimidazol-2-yl)methyl]benzamide
CID 17006948
4-methyl-N-[3-(1-nonylbenzimidazol-2-yl)propyl]benzamide
CID 16984261
2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982579
2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16982503
N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989701
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide
CID 16983150
2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976389
N-[2-(1-hexadecylbenzimidazol-2-yl)ethyl]-4-methylbenzamide
CID 16976522

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide (CID 16982514) is N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide is CCCCCCn1c(CCCNC(=O)c2ccc(C)cc2C)nc2ccccc21.
What is the InChIKey of N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide?
The InChIKey is HNIGCQBRCPKVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O/c1-4-5-6-9-17-28-23-12-8-7-11-22(23)27-24(28)13-10-16-26-25(29)21-15-14-19(2)18-20(21)3/h7-8,11-12,14-15,18H,4-6,9-10,13,16-17H2,1-3H3,(H,26,29).
What are the key properties of N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide?
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide has a molecular weight of 391.56 g/mol, XLogP of 5.60, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 16982514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).