(2S)-2-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-morpholin-4-ylacetamide

C21H23ClN4O3 — CID 93242325

IUPAC(2S)-2-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-morpholin-4-ylacetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)[C@H](c3ccc(Cl)cc3)N3CCOCC3)ccc21
InChIInChI=1S/C21H23ClN4O3/c1-24-17-8-7-16(13-18(17)25(2)21(24)28)23-20(27)19(26-9-11-29-12-10-26)14-3-5-15(22)6-4-14/h3-8,13,19H,9-12H2,1-2H3,(H,23,27)/t19-/m0/s1
InChIKeyITHGHRXQAIIDBJ-IBGZPJMESA-N
MW414.89 g/mol
LogP2.54
Rot. Bonds4

About (2S)-2-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-morpholin-4-ylacetamide

(2S)-2-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-morpholin-4-ylacetamide (PubChem CID 93242325) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-morpholin-4-ylacetamide
PubChem CID93242325
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC Name(2S)-2-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-morpholin-4-ylacetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)[C@H](c3ccc(Cl)cc3)N3CCOCC3)ccc21
InChIInChI=1S/C21H23ClN4O3/c1-24-17-8-7-16(13-18(17)25(2)21(24)28)23-20(27)19(26-9-11-29-12-10-26)14-3-5-15(22)6-4-14/h3-8,13,19H,9-12H2,1-2H3,(H,23,27)/t19-/m0/s1
InChIKeyITHGHRXQAIIDBJ-IBGZPJMESA-N
XLogP2.54
TPSA68.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenyl)-2-morpholin-4-ylacetamide
CID 93242397
(2S)-2-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 7279324
2-(4-chlorophenyl)-2-morpholin-4-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 46977302
3-acetamido-3-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide
CID 49169432
2-(4-chlorophenyl)-N-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 3904428
2-(1,3-benzodioxol-5-yl)-2-morpholin-4-yl-N-(4-propan-2-ylphenyl)acetamide
CID 4134863
(2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride
CID 119309194
2-(4-chlorophenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 6491422
2-(4-chloro-3,5-dimethylphenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide
CID 21367833
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-1,4-dioxane-2-carboxamide
CID 49169137
2-(4-chlorophenyl)-N-(6-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)-2-morpholin-4-ylacetamide
CID 46977298
2-(4-fluorophenyl)-2-morpholin-4-yl-N-(3-oxo-4H-1,4-benzoxazin-7-yl)acetamide
CID 46978510

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-morpholin-4-ylacetamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-morpholin-4-ylacetamide (CID 93242325) is (2S)-2-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-morpholin-4-ylacetamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-morpholin-4-ylacetamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-morpholin-4-ylacetamide is Cn1c(=O)n(C)c2cc(NC(=O)[C@H](c3ccc(Cl)cc3)N3CCOCC3)ccc21.
What is the InChIKey of (2S)-2-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-morpholin-4-ylacetamide?
The InChIKey is ITHGHRXQAIIDBJ-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23ClN4O3/c1-24-17-8-7-16(13-18(17)25(2)21(24)28)23-20(27)19(26-9-11-29-12-10-26)14-3-5-15(22)6-4-14/h3-8,13,19H,9-12H2,1-2H3,(H,23,27)/t19-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-morpholin-4-ylacetamide?
(2S)-2-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-morpholin-4-ylacetamide has a molecular weight of 414.89 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 93242325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).