[1-(benzenesulfonyl)-3-cyclohexylimidazolidin-4-yl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone

C26H35N5O3S — CID 141215489

IUPAC[1-(benzenesulfonyl)-3-cyclohexylimidazolidin-4-yl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)C3CN(S(=O)(=O)c4ccccc4)CN3C3CCCCC3)CC2)n1
InChIInChI=1S/C26H35N5O3S/c1-21-9-8-14-25(27-21)28-15-17-29(18-16-28)26(32)24-19-30(20-31(24)22-10-4-2-5-11-22)35(33,34)23-12-6-3-7-13-23/h3,6-9,12-14,22,24H,2,4-5,10-11,15-20H2,1H3
InChIKeyPYFCXPNWNYUWSF-UHFFFAOYSA-N
MW497.67 g/mol
LogP2.70
Rot. Bonds5

About [1-(benzenesulfonyl)-3-cyclohexylimidazolidin-4-yl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone

[1-(benzenesulfonyl)-3-cyclohexylimidazolidin-4-yl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 141215489) has the molecular formula C26H35N5O3S and a molecular weight of 497.67 g/mol. Its IUPAC name is [1-(benzenesulfonyl)-3-cyclohexylimidazolidin-4-yl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)-3-cyclohexylimidazolidin-4-yl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID141215489
Molecular FormulaC26H35N5O3S
Molecular Weight497.67 g/mol
Exact Mass497.25
IUPAC Name[1-(benzenesulfonyl)-3-cyclohexylimidazolidin-4-yl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone
SMILESCc1cccc(N2CCN(C(=O)C3CN(S(=O)(=O)c4ccccc4)CN3C3CCCCC3)CC2)n1
InChIInChI=1S/C26H35N5O3S/c1-21-9-8-14-25(27-21)28-15-17-29(18-16-28)26(32)24-19-30(20-31(24)22-10-4-2-5-11-22)35(33,34)23-12-6-3-7-13-23/h3,6-9,12-14,22,24H,2,4-5,10-11,15-20H2,1H3
InChIKeyPYFCXPNWNYUWSF-UHFFFAOYSA-N
XLogP2.70
TPSA77.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.67
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)-3-cyclohexylimidazolidin-4-yl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of [1-(benzenesulfonyl)-3-cyclohexylimidazolidin-4-yl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone (CID 141215489) is [1-(benzenesulfonyl)-3-cyclohexylimidazolidin-4-yl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(benzenesulfonyl)-3-cyclohexylimidazolidin-4-yl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(benzenesulfonyl)-3-cyclohexylimidazolidin-4-yl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone is Cc1cccc(N2CCN(C(=O)C3CN(S(=O)(=O)c4ccccc4)CN3C3CCCCC3)CC2)n1.
What is the InChIKey of [1-(benzenesulfonyl)-3-cyclohexylimidazolidin-4-yl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is PYFCXPNWNYUWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O3S/c1-21-9-8-14-25(27-21)28-15-17-29(18-16-28)26(32)24-19-30(20-31(24)22-10-4-2-5-11-22)35(33,34)23-12-6-3-7-13-23/h3,6-9,12-14,22,24H,2,4-5,10-11,15-20H2,1H3.
What are the key properties of [1-(benzenesulfonyl)-3-cyclohexylimidazolidin-4-yl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone?
[1-(benzenesulfonyl)-3-cyclohexylimidazolidin-4-yl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 497.67 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)-3-cyclohexylimidazolidin-4-yl]-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 141215489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).