[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone

C23H24N6O — CID 46375672

IUPAC[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C23H24N6O/c1-26-21(11-12-24-26)22(30)27-13-15-28(16-14-27)23-25-19-9-5-6-10-20(19)29(23)17-18-7-3-2-4-8-18/h2-12H,13-17H2,1H3
InChIKeyTYXBDTHIDBYUNG-UHFFFAOYSA-N
MW400.49 g/mol
LogP2.78
Rot. Bonds4

About [4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone

[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 46375672) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is [4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID46375672
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1
InChIInChI=1S/C23H24N6O/c1-26-21(11-12-24-26)22(30)27-13-15-28(16-14-27)23-25-19-9-5-6-10-20(19)29(23)17-18-7-3-2-4-8-18/h2-12H,13-17H2,1H3
InChIKeyTYXBDTHIDBYUNG-UHFFFAOYSA-N
XLogP2.78
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]piperazin-1-yl]-phenylmethanone;hydrate
CID 110168643
[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-cyclohexylmethanone
CID 46375652
(2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 1219801
N-benzyl-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 651770
[4-(2-chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6468388
1-[4-(2-methylpyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 110467110
(2-methylpyrazol-3-yl)-[2-(1-propan-2-ylbenzimidazol-2-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]methanone
CID 154883766
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6471079
[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 3545151
2-[[1-(1-benzylbenzimidazol-2-yl)piperidin-4-yl]-methylamino]-1H-pyrimidin-6-one
CID 3065666
1-benzyl-3-[4-(2-fluorobenzoyl)piperazin-1-yl]quinoxalin-2-one
CID 50837561
(2-methylpyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157018471

Frequently Asked Questions

What is the IUPAC name of [4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 46375672) is [4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCN(c2nc3ccccc3n2Cc2ccccc2)CC1.
What is the InChIKey of [4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is TYXBDTHIDBYUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-26-21(11-12-24-26)22(30)27-13-15-28(16-14-27)23-25-19-9-5-6-10-20(19)29(23)17-18-7-3-2-4-8-18/h2-12H,13-17H2,1H3.
What are the key properties of [4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone?
[4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 400.49 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-benzylbenzimidazol-2-yl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 46375672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).