1-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone

C23H27N5O2 — CID 59568070

IUPAC1-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(c2cccc(-c3nc4ccccc4[nH]3)c2)CC1
InChIInChI=1S/C23H27N5O2/c29-22(17-26-12-14-30-15-13-26)28-10-8-27(9-11-28)19-5-3-4-18(16-19)23-24-20-6-1-2-7-21(20)25-23/h1-7,16H,8-15,17H2,(H,24,25)
InChIKeyBRCNSIYULODDMK-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.21
Rot. Bonds4

About 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 59568070) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID59568070
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESO=C(CN1CCOCC1)N1CCN(c2cccc(-c3nc4ccccc4[nH]3)c2)CC1
InChIInChI=1S/C23H27N5O2/c29-22(17-26-12-14-30-15-13-26)28-10-8-27(9-11-28)19-5-3-4-18(16-19)23-24-20-6-1-2-7-21(20)25-23/h1-7,16H,8-15,17H2,(H,24,25)
InChIKeyBRCNSIYULODDMK-UHFFFAOYSA-N
XLogP2.21
TPSA64.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone (CID 59568070) is 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone is O=C(CN1CCOCC1)N1CCN(c2cccc(-c3nc4ccccc4[nH]3)c2)CC1.
What is the InChIKey of 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is BRCNSIYULODDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-22(17-26-12-14-30-15-13-26)28-10-8-27(9-11-28)19-5-3-4-18(16-19)23-24-20-6-1-2-7-21(20)25-23/h1-7,16H,8-15,17H2,(H,24,25).
What are the key properties of 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 405.50 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1H-benzimidazol-2-yl)phenyl]piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 59568070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).