5-(2-benzylbenzimidazol-1-yl)-5-oxopentanoate

C19H17N2O3- — CID 6955238

IUPAC5-(2-benzylbenzimidazol-1-yl)-5-oxopentanoate
SMILESO=C([O-])CCCC(=O)n1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C19H18N2O3/c22-18(11-6-12-19(23)24)21-16-10-5-4-9-15(16)20-17(21)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,23,24)/p-1
InChIKeyGGXDGKCTUPLYAQ-UHFFFAOYSA-M
MW321.36 g/mol
LogP2.19
Rot. Bonds6

About 5-(2-benzylbenzimidazol-1-yl)-5-oxopentanoate

5-(2-benzylbenzimidazol-1-yl)-5-oxopentanoate (PubChem CID 6955238) has the molecular formula C19H17N2O3- and a molecular weight of 321.36 g/mol. Its IUPAC name is 5-(2-benzylbenzimidazol-1-yl)-5-oxopentanoate.

Molecular Properties

Compound Name5-(2-benzylbenzimidazol-1-yl)-5-oxopentanoate
PubChem CID6955238
Molecular FormulaC19H17N2O3-
Molecular Weight321.36 g/mol
Exact Mass321.12
IUPAC Name5-(2-benzylbenzimidazol-1-yl)-5-oxopentanoate
SMILESO=C([O-])CCCC(=O)n1c(Cc2ccccc2)nc2ccccc21
InChIInChI=1S/C19H18N2O3/c22-18(11-6-12-19(23)24)21-16-10-5-4-9-15(16)20-17(21)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,23,24)/p-1
InChIKeyGGXDGKCTUPLYAQ-UHFFFAOYSA-M
XLogP2.19
TPSA75.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-benzylbenzimidazol-1-yl)-(4-hydroxyphenyl)methanone
CID 23766408
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3-(2-benzylbenzimidazol-1-yl)-2-oxopropanoic acid
CID 22464938
potassium 6-(1-methylbenzimidazol-2-yl)-5-oxohexanoate
CID 58580442
2-[1-(4-bromobutanoyl)benzimidazol-2-yl]acetonitrile
CID 593758
(2-benzylbenzimidazol-1-yl)-(3-methylphenyl)methanone
CID 5153789
3-(1-methylbenzimidazol-2-yl)propanoate
CID 7036074
2-(2-benzylbenzimidazol-1-yl)-1-pyrrolidin-1-ylethanone
CID 16995636
3-(2-benzylbenzimidazol-1-yl)butan-2-one
CID 16995648
4-(2-aminobenzimidazol-1-yl)-4-oxobutanoic acid
CID 96582906
2-[2-[(2-benzylbenzimidazol-1-yl)methyl]benzimidazol-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 5-(2-benzylbenzimidazol-1-yl)-5-oxopentanoate?
The IUPAC name of 5-(2-benzylbenzimidazol-1-yl)-5-oxopentanoate (CID 6955238) is 5-(2-benzylbenzimidazol-1-yl)-5-oxopentanoate.
What is the SMILES notation for 5-(2-benzylbenzimidazol-1-yl)-5-oxopentanoate?
The canonical SMILES for 5-(2-benzylbenzimidazol-1-yl)-5-oxopentanoate is O=C([O-])CCCC(=O)n1c(Cc2ccccc2)nc2ccccc21.
What is the InChIKey of 5-(2-benzylbenzimidazol-1-yl)-5-oxopentanoate?
The InChIKey is GGXDGKCTUPLYAQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18N2O3/c22-18(11-6-12-19(23)24)21-16-10-5-4-9-15(16)20-17(21)13-14-7-2-1-3-8-14/h1-5,7-10H,6,11-13H2,(H,23,24)/p-1.
What are the key properties of 5-(2-benzylbenzimidazol-1-yl)-5-oxopentanoate?
5-(2-benzylbenzimidazol-1-yl)-5-oxopentanoate has a molecular weight of 321.36 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-benzylbenzimidazol-1-yl)-5-oxopentanoate is sourced from PubChem (CID 6955238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).