(2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide

C17H23N3O2 — CID 129401690

IUPAC(2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide
SMILESC[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1nc2ccccc2n1C
InChIInChI=1S/C17H23N3O2/c1-12-13(7-6-10-22-12)17(21)19(2)11-16-18-14-8-4-5-9-15(14)20(16)3/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyFDNALAONYIPTKS-QWHCGFSZSA-N
MW301.39 g/mol
LogP2.35
Rot. Bonds3

About (2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide

(2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide (PubChem CID 129401690) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide
PubChem CID129401690
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide
SMILESC[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1nc2ccccc2n1C
InChIInChI=1S/C17H23N3O2/c1-12-13(7-6-10-22-12)17(21)19(2)11-16-18-14-8-4-5-9-15(14)20(16)3/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3/t12-,13+/m0/s1
InChIKeyFDNALAONYIPTKS-QWHCGFSZSA-N
XLogP2.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 167983187
1-(cyclobutanecarbonyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 72926073
1-cyclopropyl-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 56787202
2-(1-methylbenzimidazol-2-yl)-1-(2-methyloxolan-3-yl)ethanol
CID 115818385
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 91764570
1-methyl-3-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-[3-[(2R)-oxolan-2-yl]propyl]urea
CID 126428709
(2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128975623
N-[[2-(aminomethyl)phenyl]methyl]-N,2-dimethyloxolane-3-carboxamide
CID 79750294
4-(aminomethyl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-4-carboxamide;dihydrochloride
CID 120941797
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
2-(2-acetyl-1H-isoquinolin-1-yl)-N-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 166197427
2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanol
CID 115818506

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide?
The IUPAC name of (2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide (CID 129401690) is (2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide.
What is the SMILES notation for (2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide?
The canonical SMILES for (2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide is C[C@@H]1OCCC[C@H]1C(=O)N(C)Cc1nc2ccccc2n1C.
What is the InChIKey of (2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide?
The InChIKey is FDNALAONYIPTKS-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-13(7-6-10-22-12)17(21)19(2)11-16-18-14-8-4-5-9-15(14)20(16)3/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of (2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide?
(2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide is sourced from PubChem (CID 129401690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).