N-(4-chlorophenyl)-2-[2-(1-methylpyrazol-4-yl)benzimidazol-1-yl]acetamide

C19H16ClN5O — CID 57403531

IUPACN-(4-chlorophenyl)-2-[2-(1-methylpyrazol-4-yl)benzimidazol-1-yl]acetamide
SMILESCn1cc(-c2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C19H16ClN5O/c1-24-11-13(10-21-24)19-23-16-4-2-3-5-17(16)25(19)12-18(26)22-15-8-6-14(20)7-9-15/h2-11H,12H2,1H3,(H,22,26)
InChIKeyWSXYDEWTVJALEJ-UHFFFAOYSA-N
MW365.82 g/mol
LogP3.73
Rot. Bonds4

About N-(4-chlorophenyl)-2-[2-(1-methylpyrazol-4-yl)benzimidazol-1-yl]acetamide

N-(4-chlorophenyl)-2-[2-(1-methylpyrazol-4-yl)benzimidazol-1-yl]acetamide (PubChem CID 57403531) has the molecular formula C19H16ClN5O and a molecular weight of 365.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[2-(1-methylpyrazol-4-yl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[2-(1-methylpyrazol-4-yl)benzimidazol-1-yl]acetamide
PubChem CID57403531
Molecular FormulaC19H16ClN5O
Molecular Weight365.82 g/mol
Exact Mass365.10
IUPAC NameN-(4-chlorophenyl)-2-[2-(1-methylpyrazol-4-yl)benzimidazol-1-yl]acetamide
SMILESCn1cc(-c2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)cn1
InChIInChI=1S/C19H16ClN5O/c1-24-11-13(10-21-24)19-23-16-4-2-3-5-17(16)25(19)12-18(26)22-15-8-6-14(20)7-9-15/h2-11H,12H2,1H3,(H,22,26)
InChIKeyWSXYDEWTVJALEJ-UHFFFAOYSA-N
XLogP3.73
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[2-(1-methylpyrazol-4-yl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[2-(1-methylpyrazol-4-yl)benzimidazol-1-yl]acetamide (CID 57403531) is N-(4-chlorophenyl)-2-[2-(1-methylpyrazol-4-yl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[2-(1-methylpyrazol-4-yl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[2-(1-methylpyrazol-4-yl)benzimidazol-1-yl]acetamide is Cn1cc(-c2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)cn1.
What is the InChIKey of N-(4-chlorophenyl)-2-[2-(1-methylpyrazol-4-yl)benzimidazol-1-yl]acetamide?
The InChIKey is WSXYDEWTVJALEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O/c1-24-11-13(10-21-24)19-23-16-4-2-3-5-17(16)25(19)12-18(26)22-15-8-6-14(20)7-9-15/h2-11H,12H2,1H3,(H,22,26).
What are the key properties of N-(4-chlorophenyl)-2-[2-(1-methylpyrazol-4-yl)benzimidazol-1-yl]acetamide?
N-(4-chlorophenyl)-2-[2-(1-methylpyrazol-4-yl)benzimidazol-1-yl]acetamide has a molecular weight of 365.82 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[2-(1-methylpyrazol-4-yl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 57403531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).