(2R)-1-[5-(benzimidazol-1-yl)pentyl]-N,N-dimethylpyrrolidine-2-carboxamide

C19H28N4O — CID 95157495

IUPAC(2R)-1-[5-(benzimidazol-1-yl)pentyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CCCN1CCCCCn1cnc2ccccc21
InChIInChI=1S/C19H28N4O/c1-21(2)19(24)18-11-8-14-22(18)12-6-3-7-13-23-15-20-16-9-4-5-10-17(16)23/h4-5,9-10,15,18H,3,6-8,11-14H2,1-2H3/t18-/m1/s1
InChIKeyRYEJUFVTMSUJEZ-GOSISDBHSA-N
MW328.46 g/mol
LogP2.76
Rot. Bonds7

About (2R)-1-[5-(benzimidazol-1-yl)pentyl]-N,N-dimethylpyrrolidine-2-carboxamide

(2R)-1-[5-(benzimidazol-1-yl)pentyl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 95157495) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is (2R)-1-[5-(benzimidazol-1-yl)pentyl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-1-[5-(benzimidazol-1-yl)pentyl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID95157495
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name(2R)-1-[5-(benzimidazol-1-yl)pentyl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@H]1CCCN1CCCCCn1cnc2ccccc21
InChIInChI=1S/C19H28N4O/c1-21(2)19(24)18-11-8-14-22(18)12-6-3-7-13-23-15-20-16-9-4-5-10-17(16)23/h4-5,9-10,15,18H,3,6-8,11-14H2,1-2H3/t18-/m1/s1
InChIKeyRYEJUFVTMSUJEZ-GOSISDBHSA-N
XLogP2.76
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-N,N-dimethyl-1-[3-(2-methylimidazol-1-yl)propyl]pyrrolidine-2-carboxamide
CID 97009294
N,N-dimethyl-1-[3-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide
CID 111352426
N,N-dimethyl-1-[3-[[N'-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]carbamimidoyl]amino]propyl]pyrrolidine-2-carboxamide;hydroiodide
CID 111352425
cyclohexyl 4-(benzimidazol-1-yl)butanoate
CID 58743722
(2R)-N,N-dimethyl-1-[3-[[(E)-3-pyridin-2-ylprop-2-enoyl]amino]propyl]pyrrolidine-2-carboxamide
CID 95338435
3-[3-(benzimidazol-1-yl)propyl]-1-(cyclobutylmethyl)-1-methylurea
CID 56787596
(2S)-1-[3-[(2-fluorobenzoyl)amino]propyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 95287372
1-(6-chlorohexyl)benzimidazole
CID 62228178
6-(benzimidazol-1-yl)hexane-1-sulfonic acid
CID 18415223
(2S)-N,N-dimethyl-1-[3-[(2-phenylsulfanylacetyl)amino]propyl]pyrrolidine-2-carboxamide
CID 95296492
2-[3-(benzimidazol-1-yl)propyl]-1-cyclopropyl-1-methylguanidine
CID 110029560
1-[(2-bromophenyl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 75833581

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[5-(benzimidazol-1-yl)pentyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-1-[5-(benzimidazol-1-yl)pentyl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 95157495) is (2R)-1-[5-(benzimidazol-1-yl)pentyl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-1-[5-(benzimidazol-1-yl)pentyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-1-[5-(benzimidazol-1-yl)pentyl]-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)[C@H]1CCCN1CCCCCn1cnc2ccccc21.
What is the InChIKey of (2R)-1-[5-(benzimidazol-1-yl)pentyl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is RYEJUFVTMSUJEZ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H28N4O/c1-21(2)19(24)18-11-8-14-22(18)12-6-3-7-13-23-15-20-16-9-4-5-10-17(16)23/h4-5,9-10,15,18H,3,6-8,11-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-1-[5-(benzimidazol-1-yl)pentyl]-N,N-dimethylpyrrolidine-2-carboxamide?
(2R)-1-[5-(benzimidazol-1-yl)pentyl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[5-(benzimidazol-1-yl)pentyl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 95157495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).