N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)-2-oxobenzimidazole-1-carboxamide

C18H26N4O4 — CID 44576675

IUPACN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)-2-oxobenzimidazole-1-carboxamide
SMILESCC(C)(O)Cn1c(=O)n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21
InChIInChI=1S/C18H26N4O4/c1-17(2,3)13(14(19)23)20-15(24)22-12-9-7-6-8-11(12)21(16(22)25)10-18(4,5)26/h6-9,13,26H,10H2,1-5H3,(H2,19,23)(H,20,24)/t13-/m1/s1
InChIKeyVFEXIBDWVDEXRE-CYBMUJFWSA-N
MW362.43 g/mol
LogP1.03
Rot. Bonds4

About N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)-2-oxobenzimidazole-1-carboxamide

N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)-2-oxobenzimidazole-1-carboxamide (PubChem CID 44576675) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)-2-oxobenzimidazole-1-carboxamide
PubChem CID44576675
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC NameN-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)-2-oxobenzimidazole-1-carboxamide
SMILESCC(C)(O)Cn1c(=O)n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21
InChIInChI=1S/C18H26N4O4/c1-17(2,3)13(14(19)23)20-15(24)22-12-9-7-6-8-11(12)21(16(22)25)10-18(4,5)26/h6-9,13,26H,10H2,1-5H3,(H2,19,23)(H,20,24)/t13-/m1/s1
InChIKeyVFEXIBDWVDEXRE-CYBMUJFWSA-N
XLogP1.03
TPSA119.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)-2-oxobenzimidazole-1-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)-2-oxobenzimidazole-1-carboxamide (CID 44576675) is N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)-2-oxobenzimidazole-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)-2-oxobenzimidazole-1-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)-2-oxobenzimidazole-1-carboxamide is CC(C)(O)Cn1c(=O)n(C(=O)N[C@H](C(N)=O)C(C)(C)C)c2ccccc21.
What is the InChIKey of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)-2-oxobenzimidazole-1-carboxamide?
The InChIKey is VFEXIBDWVDEXRE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-17(2,3)13(14(19)23)20-15(24)22-12-9-7-6-8-11(12)21(16(22)25)10-18(4,5)26/h6-9,13,26H,10H2,1-5H3,(H2,19,23)(H,20,24)/t13-/m1/s1.
What are the key properties of N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)-2-oxobenzimidazole-1-carboxamide?
N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)-2-oxobenzimidazole-1-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-3-(2-hydroxy-2-methylpropyl)-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 44576675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).