2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide

C9H9ClN4O — CID 104836765

IUPAC2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide
SMILESNC(=O)Cn1c(N)nc2c(Cl)cccc21
InChIInChI=1S/C9H9ClN4O/c10-5-2-1-3-6-8(5)13-9(12)14(6)4-7(11)15/h1-3H,4H2,(H2,11,15)(H2,12,13)
InChIKeyAOYMEGSUZFQCGD-UHFFFAOYSA-N
MW224.65 g/mol
LogP0.76
Rot. Bonds2

About 2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide

2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide (PubChem CID 104836765) has the molecular formula C9H9ClN4O and a molecular weight of 224.65 g/mol. Its IUPAC name is 2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide
PubChem CID104836765
Molecular FormulaC9H9ClN4O
Molecular Weight224.65 g/mol
Exact Mass224.05
IUPAC Name2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide
SMILESNC(=O)Cn1c(N)nc2c(Cl)cccc21
InChIInChI=1S/C9H9ClN4O/c10-5-2-1-3-6-8(5)13-9(12)14(6)4-7(11)15/h1-3H,4H2,(H2,11,15)(H2,12,13)
InChIKeyAOYMEGSUZFQCGD-UHFFFAOYSA-N
XLogP0.76
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.65
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]acetamide
CID 104837307
3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid
CID 84736899
3-(2-amino-4-chlorobenzimidazol-1-yl)-3-methylbutanamide
CID 106097537
4-chloro-1-[(4-ethylphenyl)methyl]benzimidazol-2-amine
CID 106900318
4-chloro-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816942
3-[4-chloro-2-(2-chloroethyl)benzimidazol-1-yl]propanamide
CID 104837684
4-chloro-1-(2,2,3,3-tetrafluoropropyl)benzimidazol-2-amine
CID 106294645
4-chloro-1-(thiophen-2-ylmethyl)benzimidazol-2-amine
CID 104836904
4-chloro-1-[2-(2-methylphenyl)ethyl]benzimidazol-2-amine
CID 104837197
4-chloro-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazol-2-amine
CID 104837217
4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 106419843
4-chloro-1-[(5-methylthiophen-2-yl)methyl]benzimidazol-2-amine
CID 104837059

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide?
The IUPAC name of 2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide (CID 104836765) is 2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide.
What is the SMILES notation for 2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide?
The canonical SMILES for 2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide is NC(=O)Cn1c(N)nc2c(Cl)cccc21.
What is the InChIKey of 2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide?
The InChIKey is AOYMEGSUZFQCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4O/c10-5-2-1-3-6-8(5)13-9(12)14(6)4-7(11)15/h1-3H,4H2,(H2,11,15)(H2,12,13).
What are the key properties of 2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide?
2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide has a molecular weight of 224.65 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-chlorobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 104836765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).