[4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone

C20H22N4O3 — CID 110801893

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone
SMILESCC(C)c1nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2[nH]1
InChIInChI=1S/C20H22N4O3/c1-13(2)18-21-15-6-5-14(12-16(15)22-18)19(25)23-7-9-24(10-8-23)20(26)17-4-3-11-27-17/h3-6,11-13H,7-10H2,1-2H3,(H,21,22)
InChIKeyMEUJUATZOOXHQG-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.88
Rot. Bonds3

About [4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone

[4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone (PubChem CID 110801893) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone
PubChem CID110801893
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone
SMILESCC(C)c1nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2[nH]1
InChIInChI=1S/C20H22N4O3/c1-13(2)18-21-15-6-5-14(12-16(15)22-18)19(25)23-7-9-24(10-8-23)20(26)17-4-3-11-27-17/h3-6,11-13H,7-10H2,1-2H3,(H,21,22)
InChIKeyMEUJUATZOOXHQG-UHFFFAOYSA-N
XLogP2.88
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(furan-2-carbonyl)piperazin-1-yl]-(1H-indol-6-yl)methanone
CID 110695005
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110798012
[4-(furan-2-carbonyl)piperazin-1-yl]-(4-propan-2-ylsulfanylphenyl)methanone
CID 55833595
[4-(2-bromo-5-propan-2-yl-1,3-thiazole-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 71703113
5-[4-(furan-2-carbonyl)-1,4-diazepane-1-carbonyl]-1,3-dihydrobenzimidazol-2-one
CID 110807796
6-methyl-1'-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 46973213
furan-2-yl-[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 647639
1-(4-acetylpiperazin-1-yl)-2-(2-propan-2-yl-3H-benzimidazol-5-yl)ethanone
CID 110772829
2-methyl-6-[1-(2-propan-2-yl-3H-benzimidazole-5-carbonyl)piperidin-3-yl]-1H-pyridin-4-one
CID 110225304
[2-(methylamino)-3H-benzimidazol-5-yl]-pyrrolidin-1-ylmethanone
CID 145234818
1-(2-propan-2-yl-3H-benzimidazol-5-yl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052731
[4-(furan-2-carbonyl)piperazin-1-yl]-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 9450440

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone (CID 110801893) is [4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone is CC(C)c1nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2[nH]1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone?
The InChIKey is MEUJUATZOOXHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-13(2)18-21-15-6-5-14(12-16(15)22-18)19(25)23-7-9-24(10-8-23)20(26)17-4-3-11-27-17/h3-6,11-13H,7-10H2,1-2H3,(H,21,22).
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone has a molecular weight of 366.42 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-(2-propan-2-yl-3H-benzimidazol-5-yl)methanone is sourced from PubChem (CID 110801893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).