N-[2-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]propan-2-yl]acetamide

C19H21N3O2 — CID 166828677

IUPACN-[2-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1ccc(Cn2c(=O)[nH]c3ccccc32)cc1
InChIInChI=1S/C19H21N3O2/c1-13(23)21-19(2,3)15-10-8-14(9-11-15)12-22-17-7-5-4-6-16(17)20-18(22)24/h4-11H,12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyOXDDCRQMWMIQMQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.75
Rot. Bonds4

About N-[2-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]propan-2-yl]acetamide

N-[2-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]propan-2-yl]acetamide (PubChem CID 166828677) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[2-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]propan-2-yl]acetamide
PubChem CID166828677
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[2-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1ccc(Cn2c(=O)[nH]c3ccccc32)cc1
InChIInChI=1S/C19H21N3O2/c1-13(23)21-19(2,3)15-10-8-14(9-11-15)12-22-17-7-5-4-6-16(17)20-18(22)24/h4-11H,12H2,1-3H3,(H,20,24)(H,21,23)
InChIKeyOXDDCRQMWMIQMQ-UHFFFAOYSA-N
XLogP2.75
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]propan-2-yl]acetamide (CID 166828677) is N-[2-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1ccc(Cn2c(=O)[nH]c3ccccc32)cc1.
What is the InChIKey of N-[2-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]propan-2-yl]acetamide?
The InChIKey is OXDDCRQMWMIQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13(23)21-19(2,3)15-10-8-14(9-11-15)12-22-17-7-5-4-6-16(17)20-18(22)24/h4-11H,12H2,1-3H3,(H,20,24)(H,21,23).
What are the key properties of N-[2-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]propan-2-yl]acetamide?
N-[2-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]propan-2-yl]acetamide has a molecular weight of 323.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-oxo-3H-benzimidazol-1-yl)methyl]phenyl]propan-2-yl]acetamide is sourced from PubChem (CID 166828677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).