1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one

C22H24N4O3 — CID 60563326

IUPAC1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one
SMILESCC(OCc1ccccc1)C(=O)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C22H24N4O3/c1-16(29-14-17-5-3-2-4-6-17)21(27)25-9-11-26(12-10-25)22(28)18-7-8-19-20(13-18)24-15-23-19/h2-8,13,15-16H,9-12,14H2,1H3,(H,23,24)
InChIKeyOPBLOTQBVYCAKI-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.45
Rot. Bonds5

About 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one

1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one (PubChem CID 60563326) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one
PubChem CID60563326
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one
SMILESCC(OCc1ccccc1)C(=O)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1
InChIInChI=1S/C22H24N4O3/c1-16(29-14-17-5-3-2-4-6-17)21(27)25-9-11-26(12-10-25)22(28)18-7-8-19-20(13-18)24-15-23-19/h2-8,13,15-16H,9-12,14H2,1H3,(H,23,24)
InChIKeyOPBLOTQBVYCAKI-UHFFFAOYSA-N
XLogP2.45
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56802688
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
3H-benzimidazol-5-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
CID 91918384
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenyl-2-phenylsulfanylethanone
CID 60563349
3H-benzimidazol-5-yl-[4-(2-phenylethylsulfonyl)piperazin-1-yl]methanone
CID 110347120
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60712264
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-3-(2-methylpropoxy)propan-1-one
CID 60563124
2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one
CID 14373623
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38453817
prop-2-enyl 4-(3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 108569341
3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 37092543
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxypropan-1-one
CID 43427969

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one?
The IUPAC name of 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one (CID 60563326) is 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one.
What is the SMILES notation for 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one?
The canonical SMILES for 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one is CC(OCc1ccccc1)C(=O)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1.
What is the InChIKey of 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one?
The InChIKey is OPBLOTQBVYCAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16(29-14-17-5-3-2-4-6-17)21(27)25-9-11-26(12-10-25)22(28)18-7-8-19-20(13-18)24-15-23-19/h2-8,13,15-16H,9-12,14H2,1H3,(H,23,24).
What are the key properties of 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one?
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one has a molecular weight of 392.46 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-phenylmethoxypropan-1-one is sourced from PubChem (CID 60563326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).