(2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide

C18H19N3O2S — CID 124506480

IUPAC(2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide
SMILESC[C@H](C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cccs1
InChIInChI=1S/C18H19N3O2S/c1-11(16-5-3-9-24-16)18(22)19-12-6-7-13-14(10-12)21-17(20-13)15-4-2-8-23-15/h3,5-7,9-11,15H,2,4,8H2,1H3,(H,19,22)(H,20,21)/t11-,15-/m0/s1
InChIKeyVBYOVZBABQIPBM-NHYWBVRUSA-N
MW341.44 g/mol
LogP4.22
Rot. Bonds4

About (2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide

(2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide (PubChem CID 124506480) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide
PubChem CID124506480
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide
SMILESC[C@H](C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cccs1
InChIInChI=1S/C18H19N3O2S/c1-11(16-5-3-9-24-16)18(22)19-12-6-7-13-14(10-12)21-17(20-13)15-4-2-8-23-15/h3,5-7,9-11,15H,2,4,8H2,1H3,(H,19,22)(H,20,21)/t11-,15-/m0/s1
InChIKeyVBYOVZBABQIPBM-NHYWBVRUSA-N
XLogP4.22
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[2-[(2R)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-3-ylpropanamide
CID 95980969
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide
CID 119860394
2-methyl-3-(methylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 119860398
(2S)-2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]butanamide;dihydrochloride
CID 119860393
2-amino-3-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]pentanamide;dihydrochloride
CID 119860409
2-amino-2-(oxan-4-yl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide;dihydrochloride
CID 120798817
2-amino-2-(4-methylphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 120669855
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]-1H-pyrrole-2-carboxamide
CID 71936234
N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]piperidine-4-carboxamide;dihydrochloride
CID 119860353
2-(2-methoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 47825848
(2R,3S)-2-methyl-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]morpholine-3-carboxamide;dihydrochloride
CID 120939827
2-(cyclopropylmethylamino)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]acetamide
CID 119860392

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide?
The IUPAC name of (2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide (CID 124506480) is (2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide.
What is the SMILES notation for (2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide?
The canonical SMILES for (2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide is C[C@H](C(=O)Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cccs1.
What is the InChIKey of (2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide?
The InChIKey is VBYOVZBABQIPBM-NHYWBVRUSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-11(16-5-3-9-24-16)18(22)19-12-6-7-13-14(10-12)21-17(20-13)15-4-2-8-23-15/h3,5-7,9-11,15H,2,4,8H2,1H3,(H,19,22)(H,20,21)/t11-,15-/m0/s1.
What are the key properties of (2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide?
(2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide has a molecular weight of 341.44 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[(2S)-oxolan-2-yl]-3H-benzimidazol-5-yl]-2-thiophen-2-ylpropanamide is sourced from PubChem (CID 124506480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).