N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide

C19H20N4OS — CID 119940632

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H20N4OS/c24-18(11-15-12-25-10-9-20-15)21-14-7-5-13(6-8-14)19-22-16-3-1-2-4-17(16)23-19/h1-8,15,20H,9-12H2,(H,21,24)(H,22,23)
InChIKeyAWCMUZGEOOIELN-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.26
Rot. Bonds4

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119940632) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119940632
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H20N4OS/c24-18(11-15-12-25-10-9-20-15)21-14-7-5-13(6-8-14)19-22-16-3-1-2-4-17(16)23-19/h1-8,15,20H,9-12H2,(H,21,24)(H,22,23)
InChIKeyAWCMUZGEOOIELN-UHFFFAOYSA-N
XLogP3.26
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]-2-thiomorpholin-3-ylacetamide
CID 119941337
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-thiomorpholin-3-ylacetamide
CID 119940828
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941326
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoic acid
CID 767937
N-(4-tert-butylphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119934945
4-[4-(1H-benzimidazol-2-yl)anilino]-4-oxobutanoate
CID 3680939
N-[4-(1,3-oxazol-5-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936833
N-(2-anilino-2-oxoethyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119937320
3-methyl-N-[4-[(2-thiomorpholin-3-ylacetyl)amino]phenyl]butanamide;hydrochloride
CID 119936028
N-(1H-indol-5-yl)-2-thiomorpholin-3-ylacetamide
CID 66422272
N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119941420
N-[4-(1H-benzimidazol-2-yl)phenyl]octadecanamide
CID 101392453

Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide (CID 119940632) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is AWCMUZGEOOIELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c24-18(11-15-12-25-10-9-20-15)21-14-7-5-13(6-8-14)19-22-16-3-1-2-4-17(16)23-19/h1-8,15,20H,9-12H2,(H,21,24)(H,22,23).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 352.46 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119940632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).