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

C14H17N3O — CID 110772537

IUPAC2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
SMILESCc1nc2ccc(CC(=O)N3CCCC3)cc2[nH]1
InChIInChI=1S/C14H17N3O/c1-10-15-12-5-4-11(8-13(12)16-10)9-14(18)17-6-2-3-7-17/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,16)
InChIKeyXBDNNQIMYRPDOO-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.04
Rot. Bonds2

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

2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 110772537) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
PubChem CID110772537
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
SMILESCc1nc2ccc(CC(=O)N3CCCC3)cc2[nH]1
InChIInChI=1S/C14H17N3O/c1-10-15-12-5-4-11(8-13(12)16-10)9-14(18)17-6-2-3-7-17/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,16)
InChIKeyXBDNNQIMYRPDOO-UHFFFAOYSA-N
XLogP2.04
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-[4-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]piperazin-1-yl]propan-1-one
CID 110801573
1-[4-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-2-(2-methyl-3H-benzimidazol-5-yl)ethanone
CID 56744296
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(2-methyl-3H-benzimidazol-5-yl)ethanone
CID 74234087
2-(2-methyl-3H-benzimidazol-5-yl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 110814291
2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone
CID 110643384
1-[(1S,5R)-8-amino-3-azabicyclo[3.2.1]octan-3-yl]-2-(2-methyl-3H-benzimidazol-5-yl)ethanone;dihydrochloride
CID 154907116
2-(2-methyl-3H-benzimidazol-5-yl)-1-(5-methylspiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-piperidine]-1'-yl)ethanone
CID 72933179
7-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-3-carboxamide
CID 50960317
1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone
CID 110772829
(6R)-1,10-dimethyl-4-[2-(2-methyl-3H-benzimidazol-5-yl)acetyl]-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97193624
1-[(3R,6S)-3-(dimethylamino)-6-(hydroxymethyl)azepan-1-yl]-2-(2-methyl-3H-benzimidazol-5-yl)ethanone
CID 169412311
N',N'-dimethyl-2-(2-methyl-3H-benzimidazol-5-yl)acetohydrazide
CID 116847491

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone (CID 110772537) is 2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone is Cc1nc2ccc(CC(=O)N3CCCC3)cc2[nH]1.
What is the InChIKey of 2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is XBDNNQIMYRPDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-15-12-5-4-11(8-13(12)16-10)9-14(18)17-6-2-3-7-17/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,16).
What are the key properties of 2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone?
2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 243.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 110772537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).