1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one

C19H27N3O — CID 92735820

IUPAC1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCC(C)C
InChIInChI=1S/C19H27N3O/c1-4-18(23)21-12-7-10-17(21)19-20-15-8-5-6-9-16(15)22(19)13-11-14(2)3/h5-6,8-9,14,17H,4,7,10-13H2,1-3H3/t17-/m1/s1
InChIKeyPPRHDFVHBDULRH-QGZVFWFLSA-N
MW313.44 g/mol
LogP4.16
Rot. Bonds5

About 1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one

1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 92735820) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID92735820
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCC(C)C
InChIInChI=1S/C19H27N3O/c1-4-18(23)21-12-7-10-17(21)19-20-15-8-5-6-9-16(15)22(19)13-11-14(2)3/h5-6,8-9,14,17H,4,7,10-13H2,1-3H3/t17-/m1/s1
InChIKeyPPRHDFVHBDULRH-QGZVFWFLSA-N
XLogP4.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
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CID 50745323
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CID 92735851
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1-[(2S)-2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 96571306
1-[(2S)-2-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 96571174
1-[2-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 43837383
1-[(2S)-2-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one (CID 92735820) is 1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC[C@@H]1c1nc2ccccc2n1CCC(C)C.
What is the InChIKey of 1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is PPRHDFVHBDULRH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N3O/c1-4-18(23)21-12-7-10-17(21)19-20-15-8-5-6-9-16(15)22(19)13-11-14(2)3/h5-6,8-9,14,17H,4,7,10-13H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one?
1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 313.44 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 92735820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).