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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Related Compounds

1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052731
1-(2-cyclopropyl-3H-benzimidazol-5-yl)-3-piperidin-1-ylpropan-1-one
CID 82052786
1-(2-methyl-3H-benzimidazol-5-yl)butan-1-one
CID 39104462
4-(2-methyl-3H-benzimidazol-5-yl)-4-oxobutanoic acid
CID 82052609
4-amino-1-(2-methyl-3H-benzimidazol-5-yl)pentan-1-one
CID 116916248
3-(1-benzylpiperidin-4-yl)-1-(2-methyl-3H-benzimidazol-5-yl)propan-1-one
CID 10292083
ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 144710536
[4-hydroxy-4-(pyrrolidin-1-ylmethyl)azepan-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 110098110
3-amino-3-methyl-1-(2-methyl-3H-benzimidazol-5-yl)butan-1-one
CID 116915767
N-[2-(3-carbamoylpiperidin-1-yl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 74240532
1-(4-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 3024978
1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050231

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).