N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide

C16H21N3O2 — CID 94820918

IUPACN-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
SMILESC[C@H](CC[C@H]1CCCO1)NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H21N3O2/c1-11(4-6-13-3-2-8-21-13)19-16(20)12-5-7-14-15(9-12)18-10-17-14/h5,7,9-11,13H,2-4,6,8H2,1H3,(H,17,18)(H,19,20)/t11-,13-/m1/s1
InChIKeySZIQIBCCFYJDKX-DGCLKSJQSA-N
MW287.36 g/mol
LogP2.64
Rot. Bonds5

About N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide

N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide (PubChem CID 94820918) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
PubChem CID94820918
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
SMILESC[C@H](CC[C@H]1CCCO1)NC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C16H21N3O2/c1-11(4-6-13-3-2-8-21-13)19-16(20)12-5-7-14-15(9-12)18-10-17-14/h5,7,9-11,13H,2-4,6,8H2,1H3,(H,17,18)(H,19,20)/t11-,13-/m1/s1
InChIKeySZIQIBCCFYJDKX-DGCLKSJQSA-N
XLogP2.64
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94820916
N-methyl-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 61433534
N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide
CID 47105831
4-oxo-N-[(2S)-4-[(2R)-oxolan-2-yl]butan-2-yl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 99793491
3-chloro-4-hydroxy-N-[(2S)-4-[(2S)-oxolan-2-yl]butan-2-yl]benzamide
CID 94820204
3-ethyl-2,4-dioxo-N-[(2R)-4-[(2R)-oxolan-2-yl]butan-2-yl]-1H-quinazoline-7-carboxamide
CID 52508013
3-methyl-4-oxo-N-[4-(oxolan-2-yl)butan-2-yl]-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 51131092
N-(1-phenylpropan-2-yl)-3H-benzimidazole-5-carboxamide
CID 63012845
N-(1-hydroxy-4-methylpentan-3-yl)-3H-benzimidazole-5-carboxamide
CID 103852402
2-(3H-benzimidazole-5-carbonylamino)-3-methylbutanoic acid
CID 24700991
N-[(2R)-1-(2,2,2-trifluoroethoxy)propan-2-yl]-3H-benzimidazole-5-carboxamide
CID 94798374
3-(3H-benzimidazol-5-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]benzamide
CID 126446790

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide (CID 94820918) is N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide is C[C@H](CC[C@H]1CCCO1)NC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide?
The InChIKey is SZIQIBCCFYJDKX-DGCLKSJQSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(4-6-13-3-2-8-21-13)19-16(20)12-5-7-14-15(9-12)18-10-17-14/h5,7,9-11,13H,2-4,6,8H2,1H3,(H,17,18)(H,19,20)/t11-,13-/m1/s1.
What are the key properties of N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide?
N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-[(2S)-oxolan-2-yl]butan-2-yl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 94820918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).