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

C20H31N3O — CID 18811165

IUPACN-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide
SMILESCCCCCCn1c(CCCNC(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C20H31N3O/c1-4-5-6-9-15-23-18-12-8-7-11-17(18)22-19(23)13-10-14-21-20(24)16(2)3/h7-8,11-12,16H,4-6,9-10,13-15H2,1-3H3,(H,21,24)
InChIKeyJJMPQONWLVSAKF-UHFFFAOYSA-N
MW329.49 g/mol
LogP4.32
Rot. Bonds10

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

N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide (PubChem CID 18811165) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide
PubChem CID18811165
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC NameN-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide
SMILESCCCCCCn1c(CCCNC(=O)C(C)C)nc2ccccc21
InChIInChI=1S/C20H31N3O/c1-4-5-6-9-15-23-18-12-8-7-11-17(18)22-19(23)13-10-14-21-20(24)16(2)3/h7-8,11-12,16H,4-6,9-10,13-15H2,1-3H3,(H,21,24)
InChIKeyJJMPQONWLVSAKF-UHFFFAOYSA-N
XLogP4.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 54.32
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-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811164
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-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide?
The IUPAC name of N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide (CID 18811165) is N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide is CCCCCCn1c(CCCNC(=O)C(C)C)nc2ccccc21.
What is the InChIKey of N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide?
The InChIKey is JJMPQONWLVSAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-4-5-6-9-15-23-18-12-8-7-11-17(18)22-19(23)13-10-14-21-20(24)16(2)3/h7-8,11-12,16H,4-6,9-10,13-15H2,1-3H3,(H,21,24).
What are the key properties of N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide?
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide has a molecular weight of 329.49 g/mol, XLogP of 4.32, 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-methylpropanamide is sourced from PubChem (CID 18811165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).