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

C19H23N5O2 — CID 128975623

IUPAC(2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
SMILESCn1nccc1[C@@H]1OCCC[C@H]1C(=O)NCc1nc2ccccc2n1C
InChIInChI=1S/C19H23N5O2/c1-23-15-8-4-3-7-14(15)22-17(23)12-20-19(25)13-6-5-11-26-18(13)16-9-10-21-24(16)2/h3-4,7-10,13,18H,5-6,11-12H2,1-2H3,(H,20,25)/t13-,18-/m1/s1
InChIKeyZWUUTVPKMAJQKT-FZKQIMNGSA-N
MW353.43 g/mol
LogP2.09
Rot. Bonds4

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

(2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide (PubChem CID 128975623) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
PubChem CID128975623
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
SMILESCn1nccc1[C@@H]1OCCC[C@H]1C(=O)NCc1nc2ccccc2n1C
InChIInChI=1S/C19H23N5O2/c1-23-15-8-4-3-7-14(15)22-17(23)12-20-19(25)13-6-5-11-26-18(13)16-9-10-21-24(16)2/h3-4,7-10,13,18H,5-6,11-12H2,1-2H3,(H,20,25)/t13-,18-/m1/s1
InChIKeyZWUUTVPKMAJQKT-FZKQIMNGSA-N
XLogP2.09
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(2R,3R)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128984992
3-amino-N-[(1-methylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119834834
N-[3-(1-methylbenzimidazol-2-yl)propyl]oxolane-2-carboxamide
CID 16981769
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(5-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 128966406
(2R,3R)-N-(1-methylpyrazol-4-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 154738421
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide
CID 129000954
(2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 129000051
2-amino-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120797215
(2R,3R)-N-(2-ethylpyrimidin-5-yl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128985765
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111139817
N-[(1-dodecylbenzimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 16973996
(2S,3R)-N,2-dimethyl-N-[(1-methylbenzimidazol-2-yl)methyl]oxane-3-carboxamide
CID 129401690

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide?
The IUPAC name of (2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide (CID 128975623) is (2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide is Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)NCc1nc2ccccc2n1C.
What is the InChIKey of (2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide?
The InChIKey is ZWUUTVPKMAJQKT-FZKQIMNGSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-23-15-8-4-3-7-14(15)22-17(23)12-20-19(25)13-6-5-11-26-18(13)16-9-10-21-24(16)2/h3-4,7-10,13,18H,5-6,11-12H2,1-2H3,(H,20,25)/t13-,18-/m1/s1.
What are the key properties of (2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide?
(2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide is sourced from PubChem (CID 128975623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).