tert-butyl N-[(2S)-1-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate

C17H23N3O5 — CID 10760223

IUPACtert-butyl N-[(2S)-1-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate
SMILESCc1cc2[nH]c(=O)n(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)c2cc1C
InChIInChI=1S/C17H23N3O5/c1-9-6-11-13(7-10(9)2)20(15(23)18-11)14(22)12(8-21)19-16(24)25-17(3,4)5/h6-7,12,21H,8H2,1-5H3,(H,18,23)(H,19,24)/t12-/m0/s1
InChIKeyHVBZVSBJADDEFX-LBPRGKRZSA-N
MW349.39 g/mol
LogP1.47
Rot. Bonds3

About tert-butyl N-[(2S)-1-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate

tert-butyl N-[(2S)-1-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate (PubChem CID 10760223) has the molecular formula C17H23N3O5 and a molecular weight of 349.39 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate
PubChem CID10760223
Molecular FormulaC17H23N3O5
Molecular Weight349.39 g/mol
Exact Mass349.16
IUPAC Nametert-butyl N-[(2S)-1-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate
SMILESCc1cc2[nH]c(=O)n(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)c2cc1C
InChIInChI=1S/C17H23N3O5/c1-9-6-11-13(7-10(9)2)20(15(23)18-11)14(22)12(8-21)19-16(24)25-17(3,4)5/h6-7,12,21H,8H2,1-5H3,(H,18,23)(H,19,24)/t12-/m0/s1
InChIKeyHVBZVSBJADDEFX-LBPRGKRZSA-N
XLogP1.47
TPSA113.42 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[(2S)-1-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;methyl 3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 170631807
tert-butyl N-[(2S)-1-hydroxy-3-oxooctadecan-2-yl]carbamate
CID 11338535
tert-butyl N-[(2R)-3-hydroxy-1-(hydroxyamino)-1-oxopropan-2-yl]carbamate
CID 87558504
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxo-1H-pyridin-4-yl)propanoic acid
CID 170607266
tert-butyl N-[3-hydroxy-1-(2-hydroxyethylamino)-1-oxopropan-2-yl]carbamate
CID 22253941
tert-butyl N-[(2R)-1-hydroxy-3-(3-methyl-4-phenylphenyl)propan-2-yl]carbamate
CID 145184605
tert-butyl N-[3-hydroxy-1-(3-methoxyanilino)-1-oxopropan-2-yl]carbamate
CID 22501705
3-(4,5-dimethylimidazol-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 165495504
(2R)-3-(4-amino-3-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170973552
methyl (2S)-3-[2,6-dimethyl-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 11760671
tert-butyl N-[(2S)-1-(2-aminoethylamino)-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 10800508
tert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate
CID 51898096

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate (CID 10760223) is tert-butyl N-[(2S)-1-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate is Cc1cc2[nH]c(=O)n(C(=O)[C@H](CO)NC(=O)OC(C)(C)C)c2cc1C.
What is the InChIKey of tert-butyl N-[(2S)-1-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate?
The InChIKey is HVBZVSBJADDEFX-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N3O5/c1-9-6-11-13(7-10(9)2)20(15(23)18-11)14(22)12(8-21)19-16(24)25-17(3,4)5/h6-7,12,21H,8H2,1-5H3,(H,18,23)(H,19,24)/t12-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate?
tert-butyl N-[(2S)-1-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate has a molecular weight of 349.39 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)-3-hydroxy-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 10760223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).