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

C21H33N3O — CID 18811164

IUPACN-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide
SMILESCCCCCCCn1c(CCCNC(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C21H33N3O/c1-4-5-6-7-10-16-24-19-13-9-8-12-18(19)23-20(24)14-11-15-22-21(25)17(2)3/h8-9,12-13,17H,4-7,10-11,14-16H2,1-3H3,(H,22,25)
InChIKeyJGLBICMVJAXGKI-UHFFFAOYSA-N
MW343.52 g/mol
LogP4.71
Rot. Bonds11

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

N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide (PubChem CID 18811164) has the molecular formula C21H33N3O and a molecular weight of 343.52 g/mol. Its IUPAC name is N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide
PubChem CID18811164
Molecular FormulaC21H33N3O
Molecular Weight343.52 g/mol
Exact Mass343.26
IUPAC NameN-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide
SMILESCCCCCCCn1c(CCCNC(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C21H33N3O/c1-4-5-6-7-10-16-24-19-13-9-8-12-18(19)23-20(24)14-11-15-22-21(25)17(2)3/h8-9,12-13,17H,4-7,10-11,14-16H2,1-3H3,(H,22,25)
InChIKeyJGLBICMVJAXGKI-UHFFFAOYSA-N
XLogP4.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 54.71
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-methyl-N-[3-(1-undecylbenzimidazol-2-yl)propyl]propanamide
CID 16980820
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811165
N-[5-(1-hexadecylbenzimidazol-2-yl)pentyl]-2-methylpropanamide
CID 16988638
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylprop-2-enamide
CID 16986870
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
2-(2-chlorophenyl)-N-[3-(1-dodecylbenzimidazol-2-yl)propyl]acetamide
CID 16985199
N-[3-(1-heptylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986709
N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide
CID 16981267
N-[3-(1-decylbenzimidazol-2-yl)propyl]prop-2-enamide
CID 16986712
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide?
The IUPAC name of N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide (CID 18811164) is N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide is CCCCCCCn1c(CCCNC(=O)C(C)C)nc2ccccc21.
What is the InChIKey of N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide?
The InChIKey is JGLBICMVJAXGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O/c1-4-5-6-7-10-16-24-19-13-9-8-12-18(19)23-20(24)14-11-15-22-21(25)17(2)3/h8-9,12-13,17H,4-7,10-11,14-16H2,1-3H3,(H,22,25).
What are the key properties of N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide?
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide has a molecular weight of 343.52 g/mol, XLogP of 4.71, 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]-2-methylpropanamide is sourced from PubChem (CID 18811164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).