N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide

C17H14ClN5O2S — CID 50923539

IUPACN-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide
SMILESCn1ccnc1-c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1
InChIInChI=1S/C17H14ClN5O2S/c1-23-9-8-19-17(23)16-20-14-7-6-11(10-15(14)21-16)26(24,25)22-13-5-3-2-4-12(13)18/h2-10,22H,1H3,(H,20,21)
InChIKeyNFJRDKKKWONWBK-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.42
Rot. Bonds4

About N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide

N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide (PubChem CID 50923539) has the molecular formula C17H14ClN5O2S and a molecular weight of 387.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide
PubChem CID50923539
Molecular FormulaC17H14ClN5O2S
Molecular Weight387.85 g/mol
Exact Mass387.06
IUPAC NameN-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide
SMILESCn1ccnc1-c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1
InChIInChI=1S/C17H14ClN5O2S/c1-23-9-8-19-17(23)16-20-14-7-6-11(10-15(14)21-16)26(24,25)22-13-5-3-2-4-12(13)18/h2-10,22H,1H3,(H,20,21)
InChIKeyNFJRDKKKWONWBK-UHFFFAOYSA-N
XLogP3.42
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide (CID 50923539) is N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide is Cn1ccnc1-c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1.
What is the InChIKey of N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is NFJRDKKKWONWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O2S/c1-23-9-8-19-17(23)16-20-14-7-6-11(10-15(14)21-16)26(24,25)22-13-5-3-2-4-12(13)18/h2-10,22H,1H3,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide?
N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide has a molecular weight of 387.85 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 50923539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).