3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-3-methylbutane-1-sulfonamide

C24H26N4O3S — CID 18440778

IUPAC3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-3-methylbutane-1-sulfonamide
SMILESCOc1ccc2cc(-c3nc(C(C)(C)CCS(N)(=O)=O)[nH]c3-c3ccncc3)ccc2c1
InChIInChI=1S/C24H26N4O3S/c1-24(2,10-13-32(25,29)30)23-27-21(16-8-11-26-12-9-16)22(28-23)19-5-4-18-15-20(31-3)7-6-17(18)14-19/h4-9,11-12,14-15H,10,13H2,1-3H3,(H,27,28)(H2,25,29,30)
InChIKeyXSYVKQGVKXTCQN-UHFFFAOYSA-N
MW450.56 g/mol
LogP4.26
Rot. Bonds7

About 3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-3-methylbutane-1-sulfonamide

3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-3-methylbutane-1-sulfonamide (PubChem CID 18440778) has the molecular formula C24H26N4O3S and a molecular weight of 450.56 g/mol. Its IUPAC name is 3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-3-methylbutane-1-sulfonamide.

Molecular Properties

Compound Name3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-3-methylbutane-1-sulfonamide
PubChem CID18440778
Molecular FormulaC24H26N4O3S
Molecular Weight450.56 g/mol
Exact Mass450.17
IUPAC Name3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-3-methylbutane-1-sulfonamide
SMILESCOc1ccc2cc(-c3nc(C(C)(C)CCS(N)(=O)=O)[nH]c3-c3ccncc3)ccc2c1
InChIInChI=1S/C24H26N4O3S/c1-24(2,10-13-32(25,29)30)23-27-21(16-8-11-26-12-9-16)22(28-23)19-5-4-18-15-20(31-3)7-6-17(18)14-19/h4-9,11-12,14-15H,10,13H2,1-3H3,(H,27,28)(H2,25,29,30)
InChIKeyXSYVKQGVKXTCQN-UHFFFAOYSA-N
XLogP4.26
TPSA110.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.56
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]carbamic acid
CID 18440792
1-[2-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-2-methylpropyl]-1-propylthiourea
CID 18440768
3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]phenol
CID 57341687
3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propane-1-sulfonamide
CID 69440081
4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 90189417
2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-7-methoxynaphthalene-1-carbaldehyde
CID 170347737
4-[2-tert-butyl-4-(6-methoxynaphthalen-2-yl)-1H-imidazol-5-yl]-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 10163166
5-(2-tert-butyl-5-pyridin-4-yl-1H-imidazol-4-yl)-3-methoxypyridin-2-amine
CID 59137482
5-[2-[1-(butylamino)-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2-chlorophenol
CID 154232971
4-[4-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]pyridine
CID 54423867
4-[2-(3-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]pyridine
CID 10019342
2-chloro-5-[2-[1-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-2-methylpropan-2-yl]-5-pyridin-4-yl-1H-imidazol-4-yl]phenol
CID 44535397

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-3-methylbutane-1-sulfonamide?
The IUPAC name of 3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-3-methylbutane-1-sulfonamide (CID 18440778) is 3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-3-methylbutane-1-sulfonamide.
What is the SMILES notation for 3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-3-methylbutane-1-sulfonamide?
The canonical SMILES for 3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-3-methylbutane-1-sulfonamide is COc1ccc2cc(-c3nc(C(C)(C)CCS(N)(=O)=O)[nH]c3-c3ccncc3)ccc2c1.
What is the InChIKey of 3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-3-methylbutane-1-sulfonamide?
The InChIKey is XSYVKQGVKXTCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O3S/c1-24(2,10-13-32(25,29)30)23-27-21(16-8-11-26-12-9-16)22(28-23)19-5-4-18-15-20(31-3)7-6-17(18)14-19/h4-9,11-12,14-15H,10,13H2,1-3H3,(H,27,28)(H2,25,29,30).
What are the key properties of 3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-3-methylbutane-1-sulfonamide?
3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-3-methylbutane-1-sulfonamide has a molecular weight of 450.56 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-methoxynaphthalen-2-yl)-5-pyridin-4-yl-1H-imidazol-2-yl]-3-methylbutane-1-sulfonamide is sourced from PubChem (CID 18440778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).