2-(6-chloro-1H-benzimidazol-2-yl)-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-2-methylpropanamide

C21H20Cl2N4O3 — CID 11561410

IUPAC2-(6-chloro-1H-benzimidazol-2-yl)-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(N2CCOCC2=O)c(Cl)c1)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C21H20Cl2N4O3/c1-21(2,19-25-15-5-3-12(22)9-16(15)26-19)20(29)24-13-4-6-17(14(23)10-13)27-7-8-30-11-18(27)28/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyYTZPIKVYOVIBPP-UHFFFAOYSA-N
MW447.32 g/mol
LogP4.15
Rot. Bonds4

About 2-(6-chloro-1H-benzimidazol-2-yl)-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-2-methylpropanamide

2-(6-chloro-1H-benzimidazol-2-yl)-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-2-methylpropanamide (PubChem CID 11561410) has the molecular formula C21H20Cl2N4O3 and a molecular weight of 447.32 g/mol. Its IUPAC name is 2-(6-chloro-1H-benzimidazol-2-yl)-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(6-chloro-1H-benzimidazol-2-yl)-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-2-methylpropanamide
PubChem CID11561410
Molecular FormulaC21H20Cl2N4O3
Molecular Weight447.32 g/mol
Exact Mass446.09
IUPAC Name2-(6-chloro-1H-benzimidazol-2-yl)-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-2-methylpropanamide
SMILESCC(C)(C(=O)Nc1ccc(N2CCOCC2=O)c(Cl)c1)c1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C21H20Cl2N4O3/c1-21(2,19-25-15-5-3-12(22)9-16(15)26-19)20(29)24-13-4-6-17(14(23)10-13)27-7-8-30-11-18(27)28/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,29)(H,25,26)
InChIKeyYTZPIKVYOVIBPP-UHFFFAOYSA-N
XLogP4.15
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.32
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6-chloro-1H-benzimidazol-2-yl)oxan-4-yl] N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]carbamate
CID 90906149
(5-chlorothiophen-2-yl) N-[1-[3-chloro-4-(3-oxomorpholin-4-yl)anilino]-2-methyl-1-oxopropan-2-yl]carbamate
CID 91569108
1-amino-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]cyclohexane-1-carboxamide
CID 69053661
N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methylsulfanylethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide
CID 11294095
N-[1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]-4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)benzamide
CID 72758702
N-[(6-chloro-1H-benzimidazol-2-yl)-(1H-pyrazol-5-yl)methyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide
CID 11178778
2-amino-N-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-2-phenylpropanamide
CID 69467024
4-(2-bromo-4-chlorophenyl)morpholin-3-one
CID 130066570
tert-butyl 2-amino-1-[[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]cyclohexane-1-carboxylate
CID 69054934
2-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]-N-[4-(3-oxomorpholin-4-yl)phenyl]acetamide
CID 10457032
[1-[[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]carbamoyl]-2-[(4-ethynylphenyl)carbamoyl]pyrazolidin-4-yl] acetate
CID 11318458
N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-(2H-tetrazol-5-yloxy)ethyl]-3-methyl-4-(3-oxomorpholin-4-yl)benzamide
CID 58207372

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-2-methylpropanamide (CID 11561410) is 2-(6-chloro-1H-benzimidazol-2-yl)-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-(6-chloro-1H-benzimidazol-2-yl)-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-(6-chloro-1H-benzimidazol-2-yl)-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-2-methylpropanamide is CC(C)(C(=O)Nc1ccc(N2CCOCC2=O)c(Cl)c1)c1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-2-methylpropanamide?
The InChIKey is YTZPIKVYOVIBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O3/c1-21(2,19-25-15-5-3-12(22)9-16(15)26-19)20(29)24-13-4-6-17(14(23)10-13)27-7-8-30-11-18(27)28/h3-6,9-10H,7-8,11H2,1-2H3,(H,24,29)(H,25,26).
What are the key properties of 2-(6-chloro-1H-benzimidazol-2-yl)-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-2-methylpropanamide?
2-(6-chloro-1H-benzimidazol-2-yl)-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-2-methylpropanamide has a molecular weight of 447.32 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-benzimidazol-2-yl)-N-[3-chloro-4-(3-oxomorpholin-4-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 11561410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).