1-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3-[[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one

C34H38N8O3 — CID 46869009

IUPAC1-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3-[[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one
SMILESO=C1N(Cc2ccc3nc([C@H]4CCCN4C(=O)C4CC4)[nH]c3c2)CCN1c1ccc2nc([C@H]3CCCN3C(=O)C3CC3)[nH]c2c1
InChIInChI=1S/C34H38N8O3/c43-32(21-6-7-21)41-13-1-3-28(41)30-35-24-11-5-20(17-26(24)37-30)19-39-15-16-40(34(39)45)23-10-12-25-27(18-23)38-31(36-25)29-4-2-14-42(29)33(44)22-8-9-22/h5,10-12,17-18,21-22,28-29H,1-4,6-9,13-16,19H2,(H,35,37)(H,36,38)/t28-,29-/m1/s1
InChIKeyKPIQIXJHJYXSFE-FQLXRVMXSA-N
MW606.73 g/mol
LogP5.03
Rot. Bonds7

About 1-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3-[[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one

1-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3-[[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one (PubChem CID 46869009) has the molecular formula C34H38N8O3 and a molecular weight of 606.73 g/mol. Its IUPAC name is 1-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3-[[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3-[[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one
PubChem CID46869009
Molecular FormulaC34H38N8O3
Molecular Weight606.73 g/mol
Exact Mass606.31
IUPAC Name1-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3-[[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one
SMILESO=C1N(Cc2ccc3nc([C@H]4CCCN4C(=O)C4CC4)[nH]c3c2)CCN1c1ccc2nc([C@H]3CCCN3C(=O)C3CC3)[nH]c2c1
InChIInChI=1S/C34H38N8O3/c43-32(21-6-7-21)41-13-1-3-28(41)30-35-24-11-5-20(17-26(24)37-30)19-39-15-16-40(34(39)45)23-10-12-25-27(18-23)38-31(36-25)29-4-2-14-42(29)33(44)22-8-9-22/h5,10-12,17-18,21-22,28-29H,1-4,6-9,13-16,19H2,(H,35,37)(H,36,38)/t28-,29-/m1/s1
InChIKeyKPIQIXJHJYXSFE-FQLXRVMXSA-N
XLogP5.03
TPSA121.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.73
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3-[[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one with MolForge

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Related Compounds

2-[6-(bromomethyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 66750526
3-[6-[[3-[2-[2-(2-methyl-3-phenylpropanoyl)-2-azabicyclo[3.1.0]hexan-3-yl]-3H-benzimidazol-5-yl]-2-oxoimidazolidin-1-yl]methyl]-1H-benzimidazol-2-yl]-2-azabicyclo[3.1.0]hexane-2-carbaldehyde
CID 91306509
[(2S)-2-[6-[4-[2-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-3H-benzimidazol-5-yl]buta-1,3-diynyl]-1H-benzimidazol-2-yl]piperidin-1-yl]-cyclopentylmethanone
CID 58348635
1-[(2S)-2-(6-ethynyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 141361252
[(2S)-2-[6-[2-[2-[(2S)-1-(cyclopropene-1-carbonyl)pyrrolidin-2-yl]-5,6-dihydro-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-cyclopropylmethanone
CID 147183645
tert-butyl 2-[6-(bromomethyl)-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 59540214
cyclopropyl-[(2S)-2-[6-[2-[2-[(2S)-1-[(2R)-oxolane-2-carbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]methanone
CID 67531327
2-[4-(hydroxymethyl)phenyl]-1-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95871688
2-(azepan-1-yl)-1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95206662
1-[4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 95807216
tert-butyl 2-[6-[[N-[[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]anilino]methyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
CID 59540403
tert-butyl (2S)-2-(6-prop-2-enyl-1H-benzimidazol-2-yl)pyrrolidine-1-carboxylate
CID 170985706

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3-[[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3-[[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one (CID 46869009) is 1-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3-[[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3-[[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3-[[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one is O=C1N(Cc2ccc3nc([C@H]4CCCN4C(=O)C4CC4)[nH]c3c2)CCN1c1ccc2nc([C@H]3CCCN3C(=O)C3CC3)[nH]c2c1.
What is the InChIKey of 1-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3-[[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one?
The InChIKey is KPIQIXJHJYXSFE-FQLXRVMXSA-N. The full InChI is InChI=1S/C34H38N8O3/c43-32(21-6-7-21)41-13-1-3-28(41)30-35-24-11-5-20(17-26(24)37-30)19-39-15-16-40(34(39)45)23-10-12-25-27(18-23)38-31(36-25)29-4-2-14-42(29)33(44)22-8-9-22/h5,10-12,17-18,21-22,28-29H,1-4,6-9,13-16,19H2,(H,35,37)(H,36,38)/t28-,29-/m1/s1.
What are the key properties of 1-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3-[[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one?
1-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3-[[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one has a molecular weight of 606.73 g/mol, XLogP of 5.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-3-[[2-[(2R)-1-(cyclopropanecarbonyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]methyl]imidazolidin-2-one is sourced from PubChem (CID 46869009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).