2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone

C14H17N3O — CID 110772869

IUPAC2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
SMILESCn1cnc2cc(CC(=O)N3CCCC3)ccc21
InChIInChI=1S/C14H17N3O/c1-16-10-15-12-8-11(4-5-13(12)16)9-14(18)17-6-2-3-7-17/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyFIZSVPOEJJJHFI-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.74
Rot. Bonds2

About 2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone

2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 110772869) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
PubChem CID110772869
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
SMILESCn1cnc2cc(CC(=O)N3CCCC3)ccc21
InChIInChI=1S/C14H17N3O/c1-16-10-15-12-8-11(4-5-13(12)16)9-14(18)17-6-2-3-7-17/h4-5,8,10H,2-3,6-7,9H2,1H3
InChIKeyFIZSVPOEJJJHFI-UHFFFAOYSA-N
XLogP1.74
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(1-methylbenzimidazol-5-yl)ethanone
CID 110801719
methyl 4-[2-(1-methylbenzimidazol-5-yl)acetyl]piperazine-1-carboxylate
CID 110803452
ethyl 4-[2-(1-methylbenzimidazol-5-yl)acetyl]piperazine-1-carboxylate
CID 110772928
(2-oxo-2-pyrrolidin-1-ylethyl) 1-methylbenzimidazole-5-carboxylate
CID 75388003
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110773304
N-[(1-methylbenzimidazol-5-yl)methyl]azetidine-3-carboxamide
CID 115158890
N-[2-(1-methylbenzimidazol-5-yl)ethyl]azetidine-3-carboxamide
CID 115159038
2-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylethanone
CID 10422618
(1-methylbenzimidazol-5-yl)methanethiol
CID 83529810
1-[4-(1-methylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110805585
1-(azepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 60629303
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-propan-2-ylbenzimidazol-5-yl)ethanone
CID 110773059

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone (CID 110772869) is 2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone is Cn1cnc2cc(CC(=O)N3CCCC3)ccc21.
What is the InChIKey of 2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is FIZSVPOEJJJHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-16-10-15-12-8-11(4-5-13(12)16)9-14(18)17-6-2-3-7-17/h4-5,8,10H,2-3,6-7,9H2,1H3.
What are the key properties of 2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone?
2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 243.31 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 110772869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).