N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide

C20H30N4O4 — CID 44576570

IUPACN-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
SMILESCC(C)(C)[C@@H](CO)NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C20H30N4O4/c1-20(2,3)17(14-25)21-18(26)24-16-7-5-4-6-15(16)23(19(24)27)9-8-22-10-12-28-13-11-22/h4-7,17,25H,8-14H2,1-3H3,(H,21,26)/t17-/m1/s1
InChIKeyFMGZEUZJWPJRHN-QGZVFWFLSA-N
MW390.48 g/mol
LogP1.10
Rot. Bonds5

About N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide

N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide (PubChem CID 44576570) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
PubChem CID44576570
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC NameN-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide
SMILESCC(C)(C)[C@@H](CO)NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21
InChIInChI=1S/C20H30N4O4/c1-20(2,3)17(14-25)21-18(26)24-16-7-5-4-6-15(16)23(19(24)27)9-8-22-10-12-28-13-11-22/h4-7,17,25H,8-14H2,1-3H3,(H,21,26)/t17-/m1/s1
InChIKeyFMGZEUZJWPJRHN-QGZVFWFLSA-N
XLogP1.10
TPSA88.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide (CID 44576570) is N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide is CC(C)(C)[C@@H](CO)NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21.
What is the InChIKey of N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
The InChIKey is FMGZEUZJWPJRHN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H30N4O4/c1-20(2,3)17(14-25)21-18(26)24-16-7-5-4-6-15(16)23(19(24)27)9-8-22-10-12-28-13-11-22/h4-7,17,25H,8-14H2,1-3H3,(H,21,26)/t17-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide?
N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]-3-(2-morpholin-4-ylethyl)-2-oxobenzimidazole-1-carboxamide is sourced from PubChem (CID 44576570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).