6-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-benzimidazol-2-amine

C24H26N6O2S — CID 170265816

IUPAC6-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-benzimidazol-2-amine
SMILESCc1ccc(NC2CCN(S(=O)(=O)c3ccc(-c4ccc5nc(N)[nH]c5c4)cc3)CC2)nc1
InChIInChI=1S/C24H26N6O2S/c1-16-2-9-23(26-15-16)27-19-10-12-30(13-11-19)33(31,32)20-6-3-17(4-7-20)18-5-8-21-22(14-18)29-24(25)28-21/h2-9,14-15,19H,10-13H2,1H3,(H,26,27)(H3,25,28,29)
InChIKeyUTEFWJSAJWAAOD-UHFFFAOYSA-N
MW462.58 g/mol
LogP3.78
Rot. Bonds5

About 6-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-benzimidazol-2-amine

6-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-benzimidazol-2-amine (PubChem CID 170265816) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is 6-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-benzimidazol-2-amine
PubChem CID170265816
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC Name6-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-benzimidazol-2-amine
SMILESCc1ccc(NC2CCN(S(=O)(=O)c3ccc(-c4ccc5nc(N)[nH]c5c4)cc3)CC2)nc1
InChIInChI=1S/C24H26N6O2S/c1-16-2-9-23(26-15-16)27-19-10-12-30(13-11-19)33(31,32)20-6-3-17(4-7-20)18-5-8-21-22(14-18)29-24(25)28-21/h2-9,14-15,19H,10-13H2,1H3,(H,26,27)(H3,25,28,29)
InChIKeyUTEFWJSAJWAAOD-UHFFFAOYSA-N
XLogP3.78
TPSA117.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carbonitrile
CID 170265784
5-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-1,3-dihydrobenzimidazol-2-one
CID 167479218
6-methyl-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]pyrazin-2-amine
CID 75521032
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 1455598
6-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-2-carboxylic acid
CID 122052821
(3S,4R)-4-[(5-methyl-2-pyridinyl)amino]-1-[4-(5-methyl-3-pyridinyl)phenyl]sulfonylpiperidin-3-ol
CID 170280958
N-(5-methyl-2-pyridinyl)-1-naphthalen-2-ylsulfonylpiperidine-4-carboxamide
CID 25162169
4-[4-[(3S,4R)-3-hydroxy-4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-N-methylpyridine-2-carboxamide
CID 170280805
ethyl 3-[6-[[(3R)-1-(4-methylphenyl)sulfonylpyrrolidin-3-yl]amino]-3-pyridinyl]prop-2-enoate
CID 90694133
1-(4-ethylphenyl)sulfonyl-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 87032919
5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 55519421
2,2-dimethyl-6-[4-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]piperidin-1-yl]sulfonylphenyl]-4H-1,4-benzoxazin-3-one
CID 167479308

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-benzimidazol-2-amine?
The IUPAC name of 6-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-benzimidazol-2-amine (CID 170265816) is 6-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 6-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-benzimidazol-2-amine is Cc1ccc(NC2CCN(S(=O)(=O)c3ccc(-c4ccc5nc(N)[nH]c5c4)cc3)CC2)nc1.
What is the InChIKey of 6-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-benzimidazol-2-amine?
The InChIKey is UTEFWJSAJWAAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2S/c1-16-2-9-23(26-15-16)27-19-10-12-30(13-11-19)33(31,32)20-6-3-17(4-7-20)18-5-8-21-22(14-18)29-24(25)28-21/h2-9,14-15,19H,10-13H2,1H3,(H,26,27)(H3,25,28,29).
What are the key properties of 6-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-benzimidazol-2-amine?
6-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-benzimidazol-2-amine has a molecular weight of 462.58 g/mol, XLogP of 3.78, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 170265816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).