3H-benzimidazol-5-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone

C22H25N3O3 — CID 91918384

IUPAC3H-benzimidazol-5-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCC(OCCOCc2ccccc2)CC1
InChIInChI=1S/C22H25N3O3/c26-22(18-6-7-20-21(14-18)24-16-23-20)25-10-8-19(9-11-25)28-13-12-27-15-17-4-2-1-3-5-17/h1-7,14,16,19H,8-13,15H2,(H,23,24)
InChIKeyZCOSNJWOIXQCHV-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.40
Rot. Bonds7

About 3H-benzimidazol-5-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone

3H-benzimidazol-5-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone (PubChem CID 91918384) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
PubChem CID91918384
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name3H-benzimidazol-5-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCC(OCCOCc2ccccc2)CC1
InChIInChI=1S/C22H25N3O3/c26-22(18-6-7-20-21(14-18)24-16-23-20)25-10-8-19(9-11-25)28-13-12-27-15-17-4-2-1-3-5-17/h1-7,14,16,19H,8-13,15H2,(H,23,24)
InChIKeyZCOSNJWOIXQCHV-UHFFFAOYSA-N
XLogP3.40
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one
CID 60563326
3H-benzimidazol-5-yl-[4-(phenylsulfanylmethyl)piperidin-1-yl]methanone
CID 110672466
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63007156
1H-indol-4-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
CID 91918381
3-[[1-(3H-benzimidazole-5-carbonyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 56886998
3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586479
3H-benzimidazol-5-yl-[4-(methylsulfonylmethyl)piperidin-1-yl]methanone
CID 110745920
3H-benzimidazol-5-yl-[2-(2-phenylethyl)pyrrolidin-1-yl]methanone
CID 47066259
3H-benzimidazol-5-yl-[4-(2-phenylethylsulfonyl)piperazin-1-yl]methanone
CID 110347120
3H-benzimidazol-5-yl-(4-pyrazin-2-yloxypiperidin-1-yl)methanone
CID 90558946
3H-benzimidazol-5-yl-[4-(3-fluorophenoxy)piperidin-1-yl]methanone
CID 70779246
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone (CID 91918384) is 3H-benzimidazol-5-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone is O=C(c1ccc2nc[nH]c2c1)N1CCC(OCCOCc2ccccc2)CC1.
What is the InChIKey of 3H-benzimidazol-5-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone?
The InChIKey is ZCOSNJWOIXQCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-22(18-6-7-20-21(14-18)24-16-23-20)25-10-8-19(9-11-25)28-13-12-27-15-17-4-2-1-3-5-17/h1-7,14,16,19H,8-13,15H2,(H,23,24).
What are the key properties of 3H-benzimidazol-5-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone?
3H-benzimidazol-5-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone has a molecular weight of 379.46 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 91918384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).