N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide

C15H21N3O — CID 47127030

IUPACN-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCn1cnc2ccccc21
InChIInChI=1S/C15H21N3O/c1-15(2,3)14(19)16-9-6-10-18-11-17-12-7-4-5-8-13(12)18/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,16,19)
InChIKeyFBVGNFSAKCXILD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.59
Rot. Bonds4

About N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide

N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide (PubChem CID 47127030) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
PubChem CID47127030
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NCCCn1cnc2ccccc21
InChIInChI=1S/C15H21N3O/c1-15(2,3)14(19)16-9-6-10-18-11-17-12-7-4-5-8-13(12)18/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,16,19)
InChIKeyFBVGNFSAKCXILD-UHFFFAOYSA-N
XLogP2.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.59
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-amino-N-[3-(benzimidazol-1-yl)propyl]-3-methylbutanamide
CID 61247629
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
CID 86912487
(E)-4-[3-(benzimidazol-1-yl)propylamino]-4-oxobut-2-enoic acid
CID 60940726
N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide
CID 47412640
1-[3-(benzimidazol-1-yl)propyl]-3-(2-hydroxy-2,3-dimethylpentyl)urea
CID 111120857
N-[3-(benzimidazol-1-yl)propyl]-4-methylsulfonylbenzamide
CID 51221971
1-amino-N-[3-(benzimidazol-1-yl)propyl]cyclopentane-1-carboxamide
CID 61250242
N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide
CID 17499528
N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119834602
3-[3-(benzimidazol-1-yl)propyl]-1-(cyclobutylmethyl)-1-methylurea
CID 56787596
4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide
CID 17486518

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide (CID 47127030) is N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide is CC(C)(C)C(=O)NCCCn1cnc2ccccc21.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide?
The InChIKey is FBVGNFSAKCXILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,3)14(19)16-9-6-10-18-11-17-12-7-4-5-8-13(12)18/h4-5,7-8,11H,6,9-10H2,1-3H3,(H,16,19).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide?
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide has a molecular weight of 259.35 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 47127030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).