4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride

C20H21ClN4O3S — CID 155540795

IUPAC4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride
SMILESCCc1[nH]c(N)nc1-c1cn(S(=O)(=O)c2ccccc2)c2ccc(OC)cc12.Cl
InChIInChI=1S/C20H20N4O3S.ClH/c1-3-17-19(23-20(21)22-17)16-12-24(18-10-9-13(27-2)11-15(16)18)28(25,26)14-7-5-4-6-8-14;/h4-12H,3H2,1-2H3,(H3,21,22,23);1H
InChIKeyOJEVJBAXYUQNKN-UHFFFAOYSA-N
MW432.93 g/mol
LogP3.84
Rot. Bonds5

About 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride

4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride (PubChem CID 155540795) has the molecular formula C20H21ClN4O3S and a molecular weight of 432.93 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride
PubChem CID155540795
Molecular FormulaC20H21ClN4O3S
Molecular Weight432.93 g/mol
Exact Mass432.10
IUPAC Name4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride
SMILESCCc1[nH]c(N)nc1-c1cn(S(=O)(=O)c2ccccc2)c2ccc(OC)cc12.Cl
InChIInChI=1S/C20H20N4O3S.ClH/c1-3-17-19(23-20(21)22-17)16-12-24(18-10-9-13(27-2)11-15(16)18)28(25,26)14-7-5-4-6-8-14;/h4-12H,3H2,1-2H3,(H3,21,22,23);1H
InChIKeyOJEVJBAXYUQNKN-UHFFFAOYSA-N
XLogP3.84
TPSA103.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Surufatinib
CID 52920501
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 681823
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CID 24825356
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-3-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825358
N-{2-[5-(4-methoxyphenyl)-2-(pyridin-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825357
6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 9860448
N-{2-[5-(4-methoxyphenyl)-2-(pyrazin-2-yl)-1H-imidazol-4-yl]ethyl}-4-pentylbenzene-1-sulfonamide
CID 24825359
N-[3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]phenyl]methanesulfonamide
CID 3233232
2-{(2E)-[(5-methoxy-1,2-dimethyl-1H-indol-3-yl)methylidene]hydrazinylidene}-2,3-dihydro-1H-benzimidazole
CID 9633907
(3S)-1-(4-methoxyphenyl)-3-(5-phenyl-1H-imidazol-2-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 9802240
N-[(R)-2-(1H-Indol-3-yl)-1-(4-phenyl-1H-imidazol-2-yl)-ethyl]-4-methoxy-benzamidine
CID 10094509
4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206869

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride?
The IUPAC name of 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride (CID 155540795) is 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride.
What is the SMILES notation for 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride?
The canonical SMILES for 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride is CCc1[nH]c(N)nc1-c1cn(S(=O)(=O)c2ccccc2)c2ccc(OC)cc12.Cl.
What is the InChIKey of 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride?
The InChIKey is OJEVJBAXYUQNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S.ClH/c1-3-17-19(23-20(21)22-17)16-12-24(18-10-9-13(27-2)11-15(16)18)28(25,26)14-7-5-4-6-8-14;/h4-12H,3H2,1-2H3,(H3,21,22,23);1H.
What are the key properties of 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride?
4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride has a molecular weight of 432.93 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride is sourced from PubChem (CID 155540795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).