1-[4-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-cyclohexylethanone

C24H28ClN5O — CID 67121672

IUPAC1-[4-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-cyclohexylethanone
SMILESO=C(CC1CCCCC1)N1CCN(c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cn2)CC1
InChIInChI=1S/C24H28ClN5O/c25-19-7-8-20-21(15-19)28-24(27-20)18-6-9-22(26-16-18)29-10-12-30(13-11-29)23(31)14-17-4-2-1-3-5-17/h6-9,15-17H,1-5,10-14H2,(H,27,28)
InChIKeyXRCPKHMOWJIRME-UHFFFAOYSA-N
MW437.98 g/mol
LogP4.90
Rot. Bonds4

About 1-[4-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-cyclohexylethanone

1-[4-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-cyclohexylethanone (PubChem CID 67121672) has the molecular formula C24H28ClN5O and a molecular weight of 437.98 g/mol. Its IUPAC name is 1-[4-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-cyclohexylethanone.

Molecular Properties

Compound Name1-[4-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-cyclohexylethanone
PubChem CID67121672
Molecular FormulaC24H28ClN5O
Molecular Weight437.98 g/mol
Exact Mass437.20
IUPAC Name1-[4-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-cyclohexylethanone
SMILESO=C(CC1CCCCC1)N1CCN(c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cn2)CC1
InChIInChI=1S/C24H28ClN5O/c25-19-7-8-20-21(15-19)28-24(27-20)18-6-9-22(26-16-18)29-10-12-30(13-11-29)23(31)14-17-4-2-1-3-5-17/h6-9,15-17H,1-5,10-14H2,(H,27,28)
InChIKeyXRCPKHMOWJIRME-UHFFFAOYSA-N
XLogP4.90
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.98
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-cyclohexylethanone?
The IUPAC name of 1-[4-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-cyclohexylethanone (CID 67121672) is 1-[4-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-cyclohexylethanone.
What is the SMILES notation for 1-[4-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-cyclohexylethanone?
The canonical SMILES for 1-[4-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-cyclohexylethanone is O=C(CC1CCCCC1)N1CCN(c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cn2)CC1.
What is the InChIKey of 1-[4-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-cyclohexylethanone?
The InChIKey is XRCPKHMOWJIRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN5O/c25-19-7-8-20-21(15-19)28-24(27-20)18-6-9-22(26-16-18)29-10-12-30(13-11-29)23(31)14-17-4-2-1-3-5-17/h6-9,15-17H,1-5,10-14H2,(H,27,28).
What are the key properties of 1-[4-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-cyclohexylethanone?
1-[4-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-cyclohexylethanone has a molecular weight of 437.98 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(6-chloro-1H-benzimidazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-cyclohexylethanone is sourced from PubChem (CID 67121672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).