[4-(2-ethoxy-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone

C22H24N4O3 — CID 136538502

IUPAC[4-(2-ethoxy-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCCOc1nc2ccc(C(=O)N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2[nH]1
InChIInChI=1S/C22H24N4O3/c1-3-29-22-23-18-9-8-17(14-19(18)24-22)21(28)26-12-10-25(11-13-26)20(27)16-6-4-15(2)5-7-16/h4-9,14H,3,10-13H2,1-2H3,(H,23,24)
InChIKeyKTEBJRUVSWPCTR-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.87
Rot. Bonds4

About [4-(2-ethoxy-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone

[4-(2-ethoxy-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 136538502) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is [4-(2-ethoxy-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(2-ethoxy-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID136538502
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name[4-(2-ethoxy-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCCOc1nc2ccc(C(=O)N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2[nH]1
InChIInChI=1S/C22H24N4O3/c1-3-29-22-23-18-9-8-17(14-19(18)24-22)21(28)26-12-10-25(11-13-26)20(27)16-6-4-15(2)5-7-16/h4-9,14H,3,10-13H2,1-2H3,(H,23,24)
InChIKeyKTEBJRUVSWPCTR-UHFFFAOYSA-N
XLogP2.87
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-ethoxybenzoyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 110495905
(3aR,7aS)-5-(2-ethoxy-3H-benzimidazole-5-carbonyl)-1-methyl-3,3a,4,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one
CID 120965768
(2-methyl-3H-benzimidazol-5-yl)-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802203
methyl 4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 110803344
propan-2-yl 4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazine-1-carboxylate
CID 143658550
(2-ethoxy-3H-benzimidazol-5-yl)-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128990361
ethane;(2-methyl-3H-benzimidazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 144710536
[4-(2-methyl-3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 110808603
ethyl 4-(4-methylbenzoyl)piperazine-1-carboxylate
CID 3146125
[4-(3-ethoxyphenyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 129043282
(3-fluorophenyl)-[4-(2-methyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]methanone
CID 110802344
1-[4-(2-ethyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]butan-1-one
CID 110800078

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethoxy-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-(2-ethoxy-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone (CID 136538502) is [4-(2-ethoxy-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-(2-ethoxy-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-(2-ethoxy-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone is CCOc1nc2ccc(C(=O)N3CCN(C(=O)c4ccc(C)cc4)CC3)cc2[nH]1.
What is the InChIKey of [4-(2-ethoxy-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is KTEBJRUVSWPCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-29-22-23-18-9-8-17(14-19(18)24-22)21(28)26-12-10-25(11-13-26)20(27)16-6-4-15(2)5-7-16/h4-9,14H,3,10-13H2,1-2H3,(H,23,24).
What are the key properties of [4-(2-ethoxy-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone?
[4-(2-ethoxy-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 392.46 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethoxy-3H-benzimidazole-5-carbonyl)piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 136538502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).