1-[3-(1H-benzimidazol-2-yl)-4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one

C20H26N4O2 — CID 44783495

IUPAC1-[3-(1H-benzimidazol-2-yl)-4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(C(=O)C2CC2)C(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C20H26N4O2/c1-13(2)11-18(25)23-9-10-24(20(26)14-7-8-14)17(12-23)19-21-15-5-3-4-6-16(15)22-19/h3-6,13-14,17H,7-12H2,1-2H3,(H,21,22)
InChIKeyRFXMFBNYIOIFSC-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.73
Rot. Bonds4

About 1-[3-(1H-benzimidazol-2-yl)-4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one

1-[3-(1H-benzimidazol-2-yl)-4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 44783495) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-[3-(1H-benzimidazol-2-yl)-4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[3-(1H-benzimidazol-2-yl)-4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one
PubChem CID44783495
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name1-[3-(1H-benzimidazol-2-yl)-4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(C(=O)C2CC2)C(c2nc3ccccc3[nH]2)C1
InChIInChI=1S/C20H26N4O2/c1-13(2)11-18(25)23-9-10-24(20(26)14-7-8-14)17(12-23)19-21-15-5-3-4-6-16(15)22-19/h3-6,13-14,17H,7-12H2,1-2H3,(H,21,22)
InChIKeyRFXMFBNYIOIFSC-UHFFFAOYSA-N
XLogP2.73
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(1H-benzimidazol-2-yl)-4-(4-fluorobenzoyl)piperazin-1-yl]-cyclopropylmethanone
CID 44783497
(4S)-4-[(2S)-2-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 124876799
1-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-one
CID 51327259
1-[4-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]piperidin-1-yl]-2-phenylethanone
CID 95807216
[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-cyclopentylmethanone
CID 44783443
2-[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 43981456
4-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110205528
1-[2-(1H-benzimidazol-2-yl)-4-[4-(dimethylamino)benzoyl]piperazin-1-yl]-2-methoxyethanone
CID 44783510
(4S)-4-[4-(1H-benzimidazol-2-yl)piperidine-1-carbonyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 37023966
[3-(1H-benzimidazol-2-yl)-4-[(4-fluorophenyl)methyl]piperazin-1-yl]-cyclopentylmethanone
CID 44783549
1-[(2R)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95807203
1-[2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 43841790

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1H-benzimidazol-2-yl)-4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[3-(1H-benzimidazol-2-yl)-4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one (CID 44783495) is 1-[3-(1H-benzimidazol-2-yl)-4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[3-(1H-benzimidazol-2-yl)-4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[3-(1H-benzimidazol-2-yl)-4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCN(C(=O)C2CC2)C(c2nc3ccccc3[nH]2)C1.
What is the InChIKey of 1-[3-(1H-benzimidazol-2-yl)-4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is RFXMFBNYIOIFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-13(2)11-18(25)23-9-10-24(20(26)14-7-8-14)17(12-23)19-21-15-5-3-4-6-16(15)22-19/h3-6,13-14,17H,7-12H2,1-2H3,(H,21,22).
What are the key properties of 1-[3-(1H-benzimidazol-2-yl)-4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one?
1-[3-(1H-benzimidazol-2-yl)-4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 354.45 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1H-benzimidazol-2-yl)-4-(cyclopropanecarbonyl)piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 44783495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).