2-(2-methylbenzimidazol-1-yl)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide

C21H23N3O3 — CID 94103645

IUPAC2-(2-methylbenzimidazol-1-yl)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
SMILESCc1nc2ccccc2n1CC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C21H23N3O3/c1-15-22-19-6-2-3-7-20(19)24(15)13-21(25)23-16-8-10-17(11-9-16)27-14-18-5-4-12-26-18/h2-3,6-11,18H,4-5,12-14H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyLOPVEWQPJLKMDL-SFHVURJKSA-N
MW365.43 g/mol
LogP3.54
Rot. Bonds6

About 2-(2-methylbenzimidazol-1-yl)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide

2-(2-methylbenzimidazol-1-yl)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide (PubChem CID 94103645) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
PubChem CID94103645
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name2-(2-methylbenzimidazol-1-yl)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
SMILESCc1nc2ccccc2n1CC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C21H23N3O3/c1-15-22-19-6-2-3-7-20(19)24(15)13-21(25)23-16-8-10-17(11-9-16)27-14-18-5-4-12-26-18/h2-3,6-11,18H,4-5,12-14H2,1H3,(H,23,25)/t18-/m0/s1
InChIKeyLOPVEWQPJLKMDL-SFHVURJKSA-N
XLogP3.54
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119712735
N-[4-(oxolan-2-ylmethoxy)phenyl]-2-phenoxyacetamide
CID 4957890
N-[[1-[2-(4-ethoxyanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]oxolane-2-carboxamide
CID 17029228
2-(3,5-dimethylphenoxy)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 4957867
N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755726
ethyl 4-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 40540953
2-methyl-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 9295083
2-(tert-butylamino)-N-[4-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54813717
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
2-naphthalen-2-yloxy-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 9295169
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-3-phenylpropanamide
CID 40638862
N-[4-(cyclohexylmethoxy)phenyl]-2-[2-(methylsulfonylmethyl)benzimidazol-1-yl]acetamide
CID 60608370

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide (CID 94103645) is 2-(2-methylbenzimidazol-1-yl)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide is Cc1nc2ccccc2n1CC(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
The InChIKey is LOPVEWQPJLKMDL-SFHVURJKSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-22-19-6-2-3-7-20(19)24(15)13-21(25)23-16-8-10-17(11-9-16)27-14-18-5-4-12-26-18/h2-3,6-11,18H,4-5,12-14H2,1H3,(H,23,25)/t18-/m0/s1.
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide?
2-(2-methylbenzimidazol-1-yl)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide has a molecular weight of 365.43 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide is sourced from PubChem (CID 94103645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).