[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-(4-prop-2-enylpiperazin-1-yl)methanone

C22H22N6O — CID 137292412

IUPAC[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)CC1
InChIInChI=1S/C22H22N6O/c1-2-9-27-10-12-28(13-11-27)22(29)15-7-8-16-19(14-15)25-26-20(16)21-23-17-5-3-4-6-18(17)24-21/h2-8,14H,1,9-13H2,(H,23,24)(H,25,26)
InChIKeyZZFCXZNRAIGNCL-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.05
Rot. Bonds4

About [3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-(4-prop-2-enylpiperazin-1-yl)methanone

[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-(4-prop-2-enylpiperazin-1-yl)methanone (PubChem CID 137292412) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is [3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-(4-prop-2-enylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
PubChem CID137292412
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-(4-prop-2-enylpiperazin-1-yl)methanone
SMILESC=CCN1CCN(C(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)CC1
InChIInChI=1S/C22H22N6O/c1-2-9-27-10-12-28(13-11-27)22(29)15-7-8-16-19(14-15)25-26-20(16)21-23-17-5-3-4-6-18(17)24-21/h2-8,14H,1,9-13H2,(H,23,24)(H,25,26)
InChIKeyZZFCXZNRAIGNCL-UHFFFAOYSA-N
XLogP3.05
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(1H-benzimidazol-2-yl)-1H-indazole-6-carbonyl]piperidine-4-carboxamide
CID 137303147
naphthalen-2-yl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 17108671
[4-[2-(1H-benzimidazol-2-yl)pyridine-4-carbonyl]piperazin-1-yl]-[2-(1H-benzimidazol-2-yl)-4-pyridinyl]methanone
CID 138672421
2-(1H-indazol-3-yl)-N-(2-piperidin-1-ylethyl)-3H-benzimidazole-5-carboxamide
CID 135750617
[3-(1H-benzimidazol-2-yl)-4-methylphenyl]-piperidin-1-ylmethanone
CID 141349864
1-[4-[3-(1H-benzimidazol-2-yl)benzoyl]-1,4-diazepan-1-yl]ethanone
CID 119063003
[4-[6-(1H-benzimidazol-2-yl)pyridine-2-carbonyl]piperazin-1-yl]-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]methanone
CID 121299620
1,3-benzodioxol-5-yl-(4-prop-2-enylpiperazin-1-yl)methanone
CID 17105175
[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]-pyridin-4-ylmethanone;oxalic acid
CID 71780606
4-[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-3-methylphenol
CID 135779185
N-[(4-chloro-2,6-difluorophenyl)methyl]-2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxamide
CID 135750770
1-[4-[2-(6-chloro-1H-indazol-3-yl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanone
CID 135819874

Frequently Asked Questions

What is the IUPAC name of [3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
The IUPAC name of [3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-(4-prop-2-enylpiperazin-1-yl)methanone (CID 137292412) is [3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-(4-prop-2-enylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-(4-prop-2-enylpiperazin-1-yl)methanone is C=CCN1CCN(C(=O)c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)CC1.
What is the InChIKey of [3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
The InChIKey is ZZFCXZNRAIGNCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-2-9-27-10-12-28(13-11-27)22(29)15-7-8-16-19(14-15)25-26-20(16)21-23-17-5-3-4-6-18(17)24-21/h2-8,14H,1,9-13H2,(H,23,24)(H,25,26).
What are the key properties of [3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-(4-prop-2-enylpiperazin-1-yl)methanone?
[3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-(4-prop-2-enylpiperazin-1-yl)methanone has a molecular weight of 386.46 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-benzimidazol-2-yl)-1H-indazol-6-yl]-(4-prop-2-enylpiperazin-1-yl)methanone is sourced from PubChem (CID 137292412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).