N-(2-amino-2-oxoethyl)-N-[4-(diethylamino)phenyl]-2-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)acetamide

C23H29N5O3 — CID 18467709

IUPACN-(2-amino-2-oxoethyl)-N-[4-(diethylamino)phenyl]-2-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCCN(CC)c1ccc(N(CC(N)=O)C(=O)Cn2c(=O)[nH]c3cc(C)c(C)cc32)cc1
InChIInChI=1S/C23H29N5O3/c1-5-26(6-2)17-7-9-18(10-8-17)27(13-21(24)29)22(30)14-28-20-12-16(4)15(3)11-19(20)25-23(28)31/h7-12H,5-6,13-14H2,1-4H3,(H2,24,29)(H,25,31)
InChIKeyCHWYNJOIDMSZDS-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.31
Rot. Bonds8

About N-(2-amino-2-oxoethyl)-N-[4-(diethylamino)phenyl]-2-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)acetamide

N-(2-amino-2-oxoethyl)-N-[4-(diethylamino)phenyl]-2-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)acetamide (PubChem CID 18467709) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-[4-(diethylamino)phenyl]-2-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-[4-(diethylamino)phenyl]-2-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)acetamide
PubChem CID18467709
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC NameN-(2-amino-2-oxoethyl)-N-[4-(diethylamino)phenyl]-2-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)acetamide
SMILESCCN(CC)c1ccc(N(CC(N)=O)C(=O)Cn2c(=O)[nH]c3cc(C)c(C)cc32)cc1
InChIInChI=1S/C23H29N5O3/c1-5-26(6-2)17-7-9-18(10-8-17)27(13-21(24)29)22(30)14-28-20-12-16(4)15(3)11-19(20)25-23(28)31/h7-12H,5-6,13-14H2,1-4H3,(H2,24,29)(H,25,31)
InChIKeyCHWYNJOIDMSZDS-UHFFFAOYSA-N
XLogP2.31
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-[4-(diethylamino)phenyl]-2-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)acetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-[4-(diethylamino)phenyl]-2-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)acetamide (CID 18467709) is N-(2-amino-2-oxoethyl)-N-[4-(diethylamino)phenyl]-2-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-[4-(diethylamino)phenyl]-2-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-[4-(diethylamino)phenyl]-2-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)acetamide is CCN(CC)c1ccc(N(CC(N)=O)C(=O)Cn2c(=O)[nH]c3cc(C)c(C)cc32)cc1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-[4-(diethylamino)phenyl]-2-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)acetamide?
The InChIKey is CHWYNJOIDMSZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-5-26(6-2)17-7-9-18(10-8-17)27(13-21(24)29)22(30)14-28-20-12-16(4)15(3)11-19(20)25-23(28)31/h7-12H,5-6,13-14H2,1-4H3,(H2,24,29)(H,25,31).
What are the key properties of N-(2-amino-2-oxoethyl)-N-[4-(diethylamino)phenyl]-2-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)acetamide?
N-(2-amino-2-oxoethyl)-N-[4-(diethylamino)phenyl]-2-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)acetamide has a molecular weight of 423.52 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-[4-(diethylamino)phenyl]-2-(5,6-dimethyl-2-oxo-3H-benzimidazol-1-yl)acetamide is sourced from PubChem (CID 18467709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).