N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-imidazole-5-sulfonamide

C16H19N5O4S — CID 139001132

IUPACN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCOc1cc(OC)cc(C(NS(=O)(=O)c2cnc[nH]2)c2nccn2C)c1
InChIInChI=1S/C16H19N5O4S/c1-21-5-4-18-16(21)15(20-26(22,23)14-9-17-10-19-14)11-6-12(24-2)8-13(7-11)25-3/h4-10,15,20H,1-3H3,(H,17,19)
InChIKeyIMTMMSIPIKRXSB-UHFFFAOYSA-N
MW377.43 g/mol
LogP1.23
Rot. Bonds7

About N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-imidazole-5-sulfonamide

N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-imidazole-5-sulfonamide (PubChem CID 139001132) has the molecular formula C16H19N5O4S and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-imidazole-5-sulfonamide
PubChem CID139001132
Molecular FormulaC16H19N5O4S
Molecular Weight377.43 g/mol
Exact Mass377.12
IUPAC NameN-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-imidazole-5-sulfonamide
SMILESCOc1cc(OC)cc(C(NS(=O)(=O)c2cnc[nH]2)c2nccn2C)c1
InChIInChI=1S/C16H19N5O4S/c1-21-5-4-18-16(21)15(20-26(22,23)14-9-17-10-19-14)11-6-12(24-2)8-13(7-11)25-3/h4-10,15,20H,1-3H3,(H,17,19)
InChIKeyIMTMMSIPIKRXSB-UHFFFAOYSA-N
XLogP1.23
TPSA111.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-imidazole-5-sulfonamide (CID 139001132) is N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-imidazole-5-sulfonamide is COc1cc(OC)cc(C(NS(=O)(=O)c2cnc[nH]2)c2nccn2C)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-imidazole-5-sulfonamide?
The InChIKey is IMTMMSIPIKRXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4S/c1-21-5-4-18-16(21)15(20-26(22,23)14-9-17-10-19-14)11-6-12(24-2)8-13(7-11)25-3/h4-10,15,20H,1-3H3,(H,17,19).
What are the key properties of N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-imidazole-5-sulfonamide?
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-imidazole-5-sulfonamide has a molecular weight of 377.43 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 139001132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).