2-[6-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]acetamide

C16H14ClN3O2 — CID 177377061

IUPAC2-[6-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]acetamide
SMILESNC(=O)Cc1nc2ccc(OCc3cccc(Cl)c3)cc2[nH]1
InChIInChI=1S/C16H14ClN3O2/c17-11-3-1-2-10(6-11)9-22-12-4-5-13-14(7-12)20-16(19-13)8-15(18)21/h1-7H,8-9H2,(H2,18,21)(H,19,20)
InChIKeyLNUMLHKFMIVFEX-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.82
Rot. Bonds5

About 2-[6-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]acetamide

2-[6-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]acetamide (PubChem CID 177377061) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 2-[6-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[6-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]acetamide
PubChem CID177377061
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name2-[6-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]acetamide
SMILESNC(=O)Cc1nc2ccc(OCc3cccc(Cl)c3)cc2[nH]1
InChIInChI=1S/C16H14ClN3O2/c17-11-3-1-2-10(6-11)9-22-12-4-5-13-14(7-12)20-16(19-13)8-15(18)21/h1-7H,8-9H2,(H2,18,21)(H,19,20)
InChIKeyLNUMLHKFMIVFEX-UHFFFAOYSA-N
XLogP2.82
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]acetamide?
The IUPAC name of 2-[6-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]acetamide (CID 177377061) is 2-[6-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]acetamide.
What is the SMILES notation for 2-[6-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]acetamide?
The canonical SMILES for 2-[6-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]acetamide is NC(=O)Cc1nc2ccc(OCc3cccc(Cl)c3)cc2[nH]1.
What is the InChIKey of 2-[6-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]acetamide?
The InChIKey is LNUMLHKFMIVFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c17-11-3-1-2-10(6-11)9-22-12-4-5-13-14(7-12)20-16(19-13)8-15(18)21/h1-7H,8-9H2,(H2,18,21)(H,19,20).
What are the key properties of 2-[6-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]acetamide?
2-[6-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]acetamide has a molecular weight of 315.76 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-chlorophenyl)methoxy]-1H-benzimidazol-2-yl]acetamide is sourced from PubChem (CID 177377061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).