1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one

C15H19N3O — CID 82052621

IUPAC1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESCc1nc2ccc(C(=O)CCN3CCCC3)cc2[nH]1
InChIInChI=1S/C15H19N3O/c1-11-16-13-5-4-12(10-14(13)17-11)15(19)6-9-18-7-2-3-8-18/h4-5,10H,2-3,6-9H2,1H3,(H,16,17)
InChIKeyBWBVLVRXWLQABB-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.54
Rot. Bonds4

About 1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one

1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one (PubChem CID 82052621) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
PubChem CID82052621
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
SMILESCc1nc2ccc(C(=O)CCN3CCCC3)cc2[nH]1
InChIInChI=1S/C15H19N3O/c1-11-16-13-5-4-12(10-14(13)17-11)15(19)6-9-18-7-2-3-8-18/h4-5,10H,2-3,6-9H2,1H3,(H,16,17)
InChIKeyBWBVLVRXWLQABB-UHFFFAOYSA-N
XLogP2.54
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one (CID 82052621) is 1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one is Cc1nc2ccc(C(=O)CCN3CCCC3)cc2[nH]1.
What is the InChIKey of 1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BWBVLVRXWLQABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-16-13-5-4-12(10-14(13)17-11)15(19)6-9-18-7-2-3-8-18/h4-5,10H,2-3,6-9H2,1H3,(H,16,17).
What are the key properties of 1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one?
1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one has a molecular weight of 257.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 82052621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).