2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide

C25H21Cl2N7O — CID 121399173

IUPAC2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide
SMILESCc1cc2nc(C(CNC(=O)c3c(Cl)cc(-n4cnnn4)cc3Cl)c3ccccc3)[nH]c2cc1C
InChIInChI=1S/C25H21Cl2N7O/c1-14-8-21-22(9-15(14)2)31-24(30-21)18(16-6-4-3-5-7-16)12-28-25(35)23-19(26)10-17(11-20(23)27)34-13-29-32-33-34/h3-11,13,18H,12H2,1-2H3,(H,28,35)(H,30,31)
InChIKeyGLYPOSVQUNBVNG-UHFFFAOYSA-N
MW506.40 g/mol
LogP5.02
Rot. Bonds6

About 2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide

2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 121399173) has the molecular formula C25H21Cl2N7O and a molecular weight of 506.40 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide
PubChem CID121399173
Molecular FormulaC25H21Cl2N7O
Molecular Weight506.40 g/mol
Exact Mass505.12
IUPAC Name2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide
SMILESCc1cc2nc(C(CNC(=O)c3c(Cl)cc(-n4cnnn4)cc3Cl)c3ccccc3)[nH]c2cc1C
InChIInChI=1S/C25H21Cl2N7O/c1-14-8-21-22(9-15(14)2)31-24(30-21)18(16-6-4-3-5-7-16)12-28-25(35)23-19(26)10-17(11-20(23)27)34-13-29-32-33-34/h3-11,13,18H,12H2,1-2H3,(H,28,35)(H,30,31)
InChIKeyGLYPOSVQUNBVNG-UHFFFAOYSA-N
XLogP5.02
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.40
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide (CID 121399173) is 2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide is Cc1cc2nc(C(CNC(=O)c3c(Cl)cc(-n4cnnn4)cc3Cl)c3ccccc3)[nH]c2cc1C.
What is the InChIKey of 2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is GLYPOSVQUNBVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21Cl2N7O/c1-14-8-21-22(9-15(14)2)31-24(30-21)18(16-6-4-3-5-7-16)12-28-25(35)23-19(26)10-17(11-20(23)27)34-13-29-32-33-34/h3-11,13,18H,12H2,1-2H3,(H,28,35)(H,30,31).
What are the key properties of 2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide?
2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 506.40 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 121399173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).