[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone

C19H22N4O2 — CID 47069229

IUPAC[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCN(C(=O)C2CC=CCC2)CC1
InChIInChI=1S/C19H22N4O2/c24-18(14-4-2-1-3-5-14)22-8-10-23(11-9-22)19(25)15-6-7-16-17(12-15)21-13-20-16/h1-2,6-7,12-14H,3-5,8-11H2,(H,20,21)
InChIKeyXFLUJHIQCVRPNP-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.20
Rot. Bonds2

About [4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone

[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone (PubChem CID 47069229) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone.

Molecular Properties

Compound Name[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone
PubChem CID47069229
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCN(C(=O)C2CC=CCC2)CC1
InChIInChI=1S/C19H22N4O2/c24-18(14-4-2-1-3-5-14)22-8-10-23(11-9-22)19(25)15-6-7-16-17(12-15)21-13-20-16/h1-2,6-7,12-14H,3-5,8-11H2,(H,20,21)
InChIKeyXFLUJHIQCVRPNP-UHFFFAOYSA-N
XLogP2.20
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]-(4-hydroxycyclohexyl)methanone;formic acid
CID 154914499
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CID 40704929
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-[(1S)-cyclopent-2-en-1-yl]ethanone
CID 94334132
3H-benzimidazol-5-yl-(4-methylpiperazin-1-yl)methanone
CID 18847527
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl(3H-benzimidazol-5-yl)methanone
CID 60960326
1-[4-(3H-benzimidazole-5-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60712264
3H-benzimidazol-5-yl-[4-(3,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 37092543
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821508
1-(3H-benzimidazole-5-carbonyl)piperidin-4-one
CID 110483748
1-(3H-benzimidazole-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 63007156
3H-benzimidazol-5-yl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814747
3H-benzimidazol-5-yl-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586479

Frequently Asked Questions

What is the IUPAC name of [4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone?
The IUPAC name of [4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone (CID 47069229) is [4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone.
What is the SMILES notation for [4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone?
The canonical SMILES for [4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone is O=C(c1ccc2nc[nH]c2c1)N1CCN(C(=O)C2CC=CCC2)CC1.
What is the InChIKey of [4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone?
The InChIKey is XFLUJHIQCVRPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-18(14-4-2-1-3-5-14)22-8-10-23(11-9-22)19(25)15-6-7-16-17(12-15)21-13-20-16/h1-2,6-7,12-14H,3-5,8-11H2,(H,20,21).
What are the key properties of [4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone?
[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone has a molecular weight of 338.41 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-cyclohex-3-en-1-ylmethanone is sourced from PubChem (CID 47069229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).