N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide

C20H22N4O2S — CID 119939723

IUPACN-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide
SMILESCOc1cccc(-n2c(NC(=O)CC3CSCCN3)nc3ccccc32)c1
InChIInChI=1S/C20H22N4O2S/c1-26-16-6-4-5-15(12-16)24-18-8-3-2-7-17(18)22-20(24)23-19(25)11-14-13-27-10-9-21-14/h2-8,12,14,21H,9-11,13H2,1H3,(H,22,23,25)
InChIKeyWLKKPPPACLFEFJ-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.07
Rot. Bonds5

About N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide

N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119939723) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide
PubChem CID119939723
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide
SMILESCOc1cccc(-n2c(NC(=O)CC3CSCCN3)nc3ccccc32)c1
InChIInChI=1S/C20H22N4O2S/c1-26-16-6-4-5-15(12-16)24-18-8-3-2-7-17(18)22-20(24)23-19(25)11-14-13-27-10-9-21-14/h2-8,12,14,21H,9-11,13H2,1H3,(H,22,23,25)
InChIKeyWLKKPPPACLFEFJ-UHFFFAOYSA-N
XLogP3.07
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119800355
4-amino-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]pentanamide
CID 120563260
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934878
2-fluoro-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-pyrrolidin-3-ylacetamide
CID 167760893
N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119942310
(3S)-N-[1-(3-methoxyphenyl)benzimidazol-2-yl]oxolane-3-carboxamide
CID 99811453
2-(cyclopropylmethylamino)-N-[1-(4-methoxyphenyl)benzimidazol-2-yl]acetamide;hydrochloride
CID 119800349
5-methoxy-2-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 115411406
N-[3-(3-methoxyphenyl)propyl]-2-thiomorpholin-3-ylacetamide
CID 119938649
N-[2-(1-propan-2-ylbenzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942258
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide
CID 119942543
N-[4-(2-methoxyphenoxy)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935799

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide (CID 119939723) is N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide is COc1cccc(-n2c(NC(=O)CC3CSCCN3)nc3ccccc32)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is WLKKPPPACLFEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-26-16-6-4-5-15(12-16)24-18-8-3-2-7-17(18)22-20(24)23-19(25)11-14-13-27-10-9-21-14/h2-8,12,14,21H,9-11,13H2,1H3,(H,22,23,25).
What are the key properties of N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide?
N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 382.49 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)benzimidazol-2-yl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119939723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).