N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-morpholin-4-ylacetamide

C19H18Cl2N4O2 — CID 46886204

IUPACN-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C19H18Cl2N4O2/c20-14-9-16-17(10-15(14)21)24-19(23-16)12-1-3-13(4-2-12)22-18(26)11-25-5-7-27-8-6-25/h1-4,9-10H,5-8,11H2,(H,22,26)(H,23,24)
InChIKeyLVMFQWIGMYGYMO-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.81
Rot. Bonds4

About N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-morpholin-4-ylacetamide

N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-morpholin-4-ylacetamide (PubChem CID 46886204) has the molecular formula C19H18Cl2N4O2 and a molecular weight of 405.29 g/mol. Its IUPAC name is N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-morpholin-4-ylacetamide
PubChem CID46886204
Molecular FormulaC19H18Cl2N4O2
Molecular Weight405.29 g/mol
Exact Mass404.08
IUPAC NameN-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1
InChIInChI=1S/C19H18Cl2N4O2/c20-14-9-16-17(10-15(14)21)24-19(23-16)12-1-3-13(4-2-12)22-18(26)11-25-5-7-27-8-6-25/h1-4,9-10H,5-8,11H2,(H,22,26)(H,23,24)
InChIKeyLVMFQWIGMYGYMO-UHFFFAOYSA-N
XLogP3.81
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-morpholin-4-ylacetamide (CID 46886204) is N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)Nc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1.
What is the InChIKey of N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-morpholin-4-ylacetamide?
The InChIKey is LVMFQWIGMYGYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N4O2/c20-14-9-16-17(10-15(14)21)24-19(23-16)12-1-3-13(4-2-12)22-18(26)11-25-5-7-27-8-6-25/h1-4,9-10H,5-8,11H2,(H,22,26)(H,23,24).
What are the key properties of N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-morpholin-4-ylacetamide?
N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-morpholin-4-ylacetamide has a molecular weight of 405.29 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,6-dichloro-1H-benzimidazol-2-yl)phenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 46886204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).