2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone

C17H23N3O — CID 110773304

IUPAC2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
SMILESCC(C)c1nc2cc(CC(=O)N3CCCC3)ccc2n1C
InChIInChI=1S/C17H23N3O/c1-12(2)17-18-14-10-13(6-7-15(14)19(17)3)11-16(21)20-8-4-5-9-20/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyFDZWDRUREGREAH-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.86
Rot. Bonds3

About 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone

2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 110773304) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
PubChem CID110773304
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
SMILESCC(C)c1nc2cc(CC(=O)N3CCCC3)ccc2n1C
InChIInChI=1S/C17H23N3O/c1-12(2)17-18-14-10-13(6-7-15(14)19(17)3)11-16(21)20-8-4-5-9-20/h6-7,10,12H,4-5,8-9,11H2,1-3H3
InChIKeyFDZWDRUREGREAH-UHFFFAOYSA-N
XLogP2.86
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetic acid
CID 82142022
1-[4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110800386
1-[4-(1-methyl-2-propan-2-ylbenzimidazole-5-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110805835
2-(1-methylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772869
N-butyl-N-methyl-2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773328
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 110773313
1-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]piperidine-4-carboxamide
CID 110773151
(4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone
CID 110765962
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110773320
2-(4-methoxy-3-propan-2-ylphenyl)-1-piperidin-1-ylethanone
CID 110767571
4-[2-(1,2-dimethylbenzimidazol-5-yl)acetyl]-N-propylpiperazine-1-carboxamide
CID 110813172
azetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone
CID 166179148

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone (CID 110773304) is 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone is CC(C)c1nc2cc(CC(=O)N3CCCC3)ccc2n1C.
What is the InChIKey of 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is FDZWDRUREGREAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(2)17-18-14-10-13(6-7-15(14)19(17)3)11-16(21)20-8-4-5-9-20/h6-7,10,12H,4-5,8-9,11H2,1-3H3.
What are the key properties of 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone?
2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 285.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 110773304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).