N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]propanamide

C16H14ClN3O — CID 3164149

IUPACN-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C16H14ClN3O/c1-2-15(21)18-12-6-3-10(4-7-12)16-19-13-8-5-11(17)9-14(13)20-16/h3-9H,2H2,1H3,(H,18,21)(H,19,20)
InChIKeyIDIFARLFPJSCJD-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.23
Rot. Bonds3

About N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]propanamide

N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]propanamide (PubChem CID 3164149) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]propanamide
PubChem CID3164149
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]propanamide
SMILESCCC(=O)Nc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C16H14ClN3O/c1-2-15(21)18-12-6-3-10(4-7-12)16-19-13-8-5-11(17)9-14(13)20-16/h3-9H,2H2,1H3,(H,18,21)(H,19,20)
InChIKeyIDIFARLFPJSCJD-UHFFFAOYSA-N
XLogP4.23
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]propanamide?
The IUPAC name of N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]propanamide (CID 3164149) is N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]propanamide.
What is the SMILES notation for N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]propanamide?
The canonical SMILES for N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]propanamide is CCC(=O)Nc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]propanamide?
The InChIKey is IDIFARLFPJSCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-2-15(21)18-12-6-3-10(4-7-12)16-19-13-8-5-11(17)9-14(13)20-16/h3-9H,2H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]propanamide?
N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]propanamide has a molecular weight of 299.76 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 3164149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).