N-ethyl-N-[[(2S)-oxan-2-yl]methyl]-1H-benzimidazole-2-carboxamide

C16H21N3O2 — CID 99927726

IUPACN-ethyl-N-[[(2S)-oxan-2-yl]methyl]-1H-benzimidazole-2-carboxamide
SMILESCCN(C[C@@H]1CCCCO1)C(=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H21N3O2/c1-2-19(11-12-7-5-6-10-21-12)16(20)15-17-13-8-3-4-9-14(13)18-15/h3-4,8-9,12H,2,5-7,10-11H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyUVZNNZVZURYGET-LBPRGKRZSA-N
MW287.36 g/mol
LogP2.59
Rot. Bonds4

About N-ethyl-N-[[(2S)-oxan-2-yl]methyl]-1H-benzimidazole-2-carboxamide

N-ethyl-N-[[(2S)-oxan-2-yl]methyl]-1H-benzimidazole-2-carboxamide (PubChem CID 99927726) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-ethyl-N-[[(2S)-oxan-2-yl]methyl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[[(2S)-oxan-2-yl]methyl]-1H-benzimidazole-2-carboxamide
PubChem CID99927726
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-ethyl-N-[[(2S)-oxan-2-yl]methyl]-1H-benzimidazole-2-carboxamide
SMILESCCN(C[C@@H]1CCCCO1)C(=O)c1nc2ccccc2[nH]1
InChIInChI=1S/C16H21N3O2/c1-2-19(11-12-7-5-6-10-21-12)16(20)15-17-13-8-3-4-9-14(13)18-15/h3-4,8-9,12H,2,5-7,10-11H2,1H3,(H,17,18)/t12-/m0/s1
InChIKeyUVZNNZVZURYGET-LBPRGKRZSA-N
XLogP2.59
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-3-ylmethyl)propanamide
CID 46999216
N-ethyl-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-3-carboxamide
CID 94489620
N-ethyl-3-(4-hydroxyphenyl)-N-(oxan-2-ylmethyl)benzamide
CID 46985309
N-ethyl-3-hydroxy-N-(oxan-2-ylmethyl)pyridine-4-carboxamide
CID 90653439
N-ethyl-5-methyl-N-(oxan-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 131931546
3-(2-chlorophenyl)-N-ethyl-N-(oxan-2-ylmethyl)propanamide
CID 91786141
N-ethyl-1-methyl-2-oxo-N-(oxolan-2-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 146087509
5-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 63118374
7-amino-N-ethyl-N-(oxolan-2-ylmethyl)-1H-indole-2-carboxamide
CID 63117988
N-ethyl-7-methoxy-2-methyl-N-[[(2R)-oxan-2-yl]methyl]quinoline-4-carboxamide
CID 125165062
N-ethyl-2-nitro-N-(oxolan-2-ylmethyl)benzamide
CID 3350667
N-ethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-3-propan-2-ylphthalazine-1-carboxamide
CID 94489587

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[(2S)-oxan-2-yl]methyl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-ethyl-N-[[(2S)-oxan-2-yl]methyl]-1H-benzimidazole-2-carboxamide (CID 99927726) is N-ethyl-N-[[(2S)-oxan-2-yl]methyl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[[(2S)-oxan-2-yl]methyl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-ethyl-N-[[(2S)-oxan-2-yl]methyl]-1H-benzimidazole-2-carboxamide is CCN(C[C@@H]1CCCCO1)C(=O)c1nc2ccccc2[nH]1.
What is the InChIKey of N-ethyl-N-[[(2S)-oxan-2-yl]methyl]-1H-benzimidazole-2-carboxamide?
The InChIKey is UVZNNZVZURYGET-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-19(11-12-7-5-6-10-21-12)16(20)15-17-13-8-3-4-9-14(13)18-15/h3-4,8-9,12H,2,5-7,10-11H2,1H3,(H,17,18)/t12-/m0/s1.
What are the key properties of N-ethyl-N-[[(2S)-oxan-2-yl]methyl]-1H-benzimidazole-2-carboxamide?
N-ethyl-N-[[(2S)-oxan-2-yl]methyl]-1H-benzimidazole-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[(2S)-oxan-2-yl]methyl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 99927726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).