N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-3-benzyl-2-oxobenzimidazole-1-carboxamide

C22H24N6O3 — CID 57463435

IUPACN-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-3-benzyl-2-oxobenzimidazole-1-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)n1c(=O)n(Cc2ccccc2)c2ccccc21)c1nnc(N)o1
InChIInChI=1S/C22H24N6O3/c1-22(2,3)17(18-25-26-19(23)31-18)24-20(29)28-16-12-8-7-11-15(16)27(21(28)30)13-14-9-5-4-6-10-14/h4-12,17H,13H2,1-3H3,(H2,23,26)(H,24,29)/t17-/m1/s1
InChIKeyVPBMEYCIZUFMIB-QGZVFWFLSA-N
MW420.47 g/mol
LogP3.16
Rot. Bonds4

About N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-3-benzyl-2-oxobenzimidazole-1-carboxamide

N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-3-benzyl-2-oxobenzimidazole-1-carboxamide (PubChem CID 57463435) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-3-benzyl-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-3-benzyl-2-oxobenzimidazole-1-carboxamide
PubChem CID57463435
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC NameN-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-3-benzyl-2-oxobenzimidazole-1-carboxamide
SMILESCC(C)(C)[C@H](NC(=O)n1c(=O)n(Cc2ccccc2)c2ccccc21)c1nnc(N)o1
InChIInChI=1S/C22H24N6O3/c1-22(2,3)17(18-25-26-19(23)31-18)24-20(29)28-16-12-8-7-11-15(16)27(21(28)30)13-14-9-5-4-6-10-14/h4-12,17H,13H2,1-3H3,(H2,23,26)(H,24,29)/t17-/m1/s1
InChIKeyVPBMEYCIZUFMIB-QGZVFWFLSA-N
XLogP3.16
TPSA120.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-3-benzyl-2-oxobenzimidazole-1-carboxamide?
The IUPAC name of N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-3-benzyl-2-oxobenzimidazole-1-carboxamide (CID 57463435) is N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-3-benzyl-2-oxobenzimidazole-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-3-benzyl-2-oxobenzimidazole-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-3-benzyl-2-oxobenzimidazole-1-carboxamide is CC(C)(C)[C@H](NC(=O)n1c(=O)n(Cc2ccccc2)c2ccccc21)c1nnc(N)o1.
What is the InChIKey of N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-3-benzyl-2-oxobenzimidazole-1-carboxamide?
The InChIKey is VPBMEYCIZUFMIB-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-22(2,3)17(18-25-26-19(23)31-18)24-20(29)28-16-12-8-7-11-15(16)27(21(28)30)13-14-9-5-4-6-10-14/h4-12,17H,13H2,1-3H3,(H2,23,26)(H,24,29)/t17-/m1/s1.
What are the key properties of N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-3-benzyl-2-oxobenzimidazole-1-carboxamide?
N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-3-benzyl-2-oxobenzimidazole-1-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-amino-1,3,4-oxadiazol-2-yl)-2,2-dimethylpropyl]-3-benzyl-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 57463435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).