2,2-dimethyl-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]propanamide

C19H29N3O — CID 4753648

IUPAC2,2-dimethyl-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]propanamide
SMILESCC(C)Cn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C19H29N3O/c1-14(2)13-22-16-10-7-6-9-15(16)21-17(22)11-8-12-20-18(23)19(3,4)5/h6-7,9-10,14H,8,11-13H2,1-5H3,(H,20,23)
InChIKeyWEIAJSSTMHJTLE-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.79
Rot. Bonds6

About 2,2-dimethyl-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]propanamide

2,2-dimethyl-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]propanamide (PubChem CID 4753648) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]propanamide
PubChem CID4753648
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2,2-dimethyl-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]propanamide
SMILESCC(C)Cn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21
InChIInChI=1S/C19H29N3O/c1-14(2)13-22-16-10-7-6-9-15(16)21-17(22)11-8-12-20-18(23)19(3,4)5/h6-7,9-10,14H,8,11-13H2,1-5H3,(H,20,23)
InChIKeyWEIAJSSTMHJTLE-UHFFFAOYSA-N
XLogP3.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.79
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-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16985994
4-chloro-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16984560
2,2-dimethyl-N-[3-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]propyl]propanamide
CID 16981517
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751289
N-[3-[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981428
2,2-dimethyl-N-[3-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]propyl]propanamide
CID 16981462
N-[5-[1-(2-methoxyethyl)benzimidazol-2-yl]pentyl]-2,2-dimethylpropanamide
CID 16988910
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 4754827
2-fluoro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16989918
2,2-dimethyl-N-[3-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 4754850
N-[3-[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]-2,2-dimethylpropanamide
CID 16981475
4-chloro-N-[5-[1-(2-methylpropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991376

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]propanamide (CID 4753648) is 2,2-dimethyl-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]propanamide is CC(C)Cn1c(CCCNC(=O)C(C)(C)C)nc2ccccc21.
What is the InChIKey of 2,2-dimethyl-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]propanamide?
The InChIKey is WEIAJSSTMHJTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-14(2)13-22-16-10-7-6-9-15(16)21-17(22)11-8-12-20-18(23)19(3,4)5/h6-7,9-10,14H,8,11-13H2,1-5H3,(H,20,23).
What are the key properties of 2,2-dimethyl-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]propanamide?
2,2-dimethyl-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]propanamide has a molecular weight of 315.46 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-[1-(2-methylpropyl)benzimidazol-2-yl]propyl]propanamide is sourced from PubChem (CID 4753648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).