N,N-bis(2-methylpropyl)-2-[2-(1-propanoylpyrrolidin-2-yl)benzimidazol-1-yl]acetamide

C24H36N4O2 — CID 17027862

IUPACN,N-bis(2-methylpropyl)-2-[2-(1-propanoylpyrrolidin-2-yl)benzimidazol-1-yl]acetamide
SMILESCCC(=O)N1CCCC1c1nc2ccccc2n1CC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C24H36N4O2/c1-6-22(29)27-13-9-12-21(27)24-25-19-10-7-8-11-20(19)28(24)16-23(30)26(14-17(2)3)15-18(4)5/h7-8,10-11,17-18,21H,6,9,12-16H2,1-5H3
InChIKeyUHLJLTDQEYFLRX-UHFFFAOYSA-N
MW412.58 g/mol
LogP4.25
Rot. Bonds8

About N,N-bis(2-methylpropyl)-2-[2-(1-propanoylpyrrolidin-2-yl)benzimidazol-1-yl]acetamide

N,N-bis(2-methylpropyl)-2-[2-(1-propanoylpyrrolidin-2-yl)benzimidazol-1-yl]acetamide (PubChem CID 17027862) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-[2-(1-propanoylpyrrolidin-2-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-[2-(1-propanoylpyrrolidin-2-yl)benzimidazol-1-yl]acetamide
PubChem CID17027862
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC NameN,N-bis(2-methylpropyl)-2-[2-(1-propanoylpyrrolidin-2-yl)benzimidazol-1-yl]acetamide
SMILESCCC(=O)N1CCCC1c1nc2ccccc2n1CC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C24H36N4O2/c1-6-22(29)27-13-9-12-21(27)24-25-19-10-7-8-11-20(19)28(24)16-23(30)26(14-17(2)3)15-18(4)5/h7-8,10-11,17-18,21H,6,9,12-16H2,1-5H3
InChIKeyUHLJLTDQEYFLRX-UHFFFAOYSA-N
XLogP4.25
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-[1-(3-methylbutyl)benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92735820
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CID 92721055
1-[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 42536555
2-cyclopentyloxy-1-[(2R)-2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95286829
3-amino-1-[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]butan-1-one;dihydrochloride
CID 119872639
2-[2-(1-cyclopropyl-5-oxopyrrolidin-3-yl)benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 16965173
1-[2-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 53003193
[(2S)-2-[1-(2-methylpropyl)benzimidazol-2-yl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 91639137
1-[(2R)-2-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 92735816
1-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 50745323
1-[(2S)-2-[1-(cyclohexylmethyl)benzimidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 97259770
2-[2-[(2S)-1-acetylpyrrolidin-2-yl]benzimidazol-1-yl]-1-piperidin-1-ylethanone
CID 26864495

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-2-[2-(1-propanoylpyrrolidin-2-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N,N-bis(2-methylpropyl)-2-[2-(1-propanoylpyrrolidin-2-yl)benzimidazol-1-yl]acetamide (CID 17027862) is N,N-bis(2-methylpropyl)-2-[2-(1-propanoylpyrrolidin-2-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-[2-(1-propanoylpyrrolidin-2-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-[2-(1-propanoylpyrrolidin-2-yl)benzimidazol-1-yl]acetamide is CCC(=O)N1CCCC1c1nc2ccccc2n1CC(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-[2-(1-propanoylpyrrolidin-2-yl)benzimidazol-1-yl]acetamide?
The InChIKey is UHLJLTDQEYFLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-6-22(29)27-13-9-12-21(27)24-25-19-10-7-8-11-20(19)28(24)16-23(30)26(14-17(2)3)15-18(4)5/h7-8,10-11,17-18,21H,6,9,12-16H2,1-5H3.
What are the key properties of N,N-bis(2-methylpropyl)-2-[2-(1-propanoylpyrrolidin-2-yl)benzimidazol-1-yl]acetamide?
N,N-bis(2-methylpropyl)-2-[2-(1-propanoylpyrrolidin-2-yl)benzimidazol-1-yl]acetamide has a molecular weight of 412.58 g/mol, XLogP of 4.25, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-2-[2-(1-propanoylpyrrolidin-2-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 17027862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).