4-[4-[3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl]piperidin-1-yl]butanamide

C27H35ClN4O2 — CID 21188674

IUPAC4-[4-[3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl]piperidin-1-yl]butanamide
SMILESCc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCC(N)=O)CC1
InChIInChI=1S/C27H35ClN4O2/c1-20-5-2-7-24-27(20)30-26(19-34-23-11-9-22(28)10-12-23)32(24)16-3-6-21-13-17-31(18-14-21)15-4-8-25(29)33/h2,5,7,9-12,21H,3-4,6,8,13-19H2,1H3,(H2,29,33)
InChIKeyXYKCLJBWJSYNCM-UHFFFAOYSA-N
MW483.06 g/mol
LogP5.33
Rot. Bonds11

About 4-[4-[3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl]piperidin-1-yl]butanamide

4-[4-[3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl]piperidin-1-yl]butanamide (PubChem CID 21188674) has the molecular formula C27H35ClN4O2 and a molecular weight of 483.06 g/mol. Its IUPAC name is 4-[4-[3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl]piperidin-1-yl]butanamide.

Molecular Properties

Compound Name4-[4-[3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl]piperidin-1-yl]butanamide
PubChem CID21188674
Molecular FormulaC27H35ClN4O2
Molecular Weight483.06 g/mol
Exact Mass482.24
IUPAC Name4-[4-[3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl]piperidin-1-yl]butanamide
SMILESCc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCC(N)=O)CC1
InChIInChI=1S/C27H35ClN4O2/c1-20-5-2-7-24-27(20)30-26(19-34-23-11-9-22(28)10-12-23)32(24)16-3-6-21-13-17-31(18-14-21)15-4-8-25(29)33/h2,5,7,9-12,21H,3-4,6,8,13-19H2,1H3,(H2,29,33)
InChIKeyXYKCLJBWJSYNCM-UHFFFAOYSA-N
XLogP5.33
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.06
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl]piperidin-1-yl]butanamide 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 4-[4-[3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl]piperidin-1-yl]butanamide?
The IUPAC name of 4-[4-[3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl]piperidin-1-yl]butanamide (CID 21188674) is 4-[4-[3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl]piperidin-1-yl]butanamide.
What is the SMILES notation for 4-[4-[3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl]piperidin-1-yl]butanamide?
The canonical SMILES for 4-[4-[3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl]piperidin-1-yl]butanamide is Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCCC(N)=O)CC1.
What is the InChIKey of 4-[4-[3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl]piperidin-1-yl]butanamide?
The InChIKey is XYKCLJBWJSYNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN4O2/c1-20-5-2-7-24-27(20)30-26(19-34-23-11-9-22(28)10-12-23)32(24)16-3-6-21-13-17-31(18-14-21)15-4-8-25(29)33/h2,5,7,9-12,21H,3-4,6,8,13-19H2,1H3,(H2,29,33).
What are the key properties of 4-[4-[3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl]piperidin-1-yl]butanamide?
4-[4-[3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl]piperidin-1-yl]butanamide has a molecular weight of 483.06 g/mol, XLogP of 5.33, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[3-[2-[(4-chlorophenoxy)methyl]-4-methylbenzimidazol-1-yl]propyl]piperidin-1-yl]butanamide is sourced from PubChem (CID 21188674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).