3H-benzimidazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone

C21H22N4O — CID 90566646

IUPAC3H-benzimidazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C21H22N4O/c26-21(16-6-9-18-19(12-16)23-14-22-18)25-11-10-24(17-7-8-17)13-20(25)15-4-2-1-3-5-15/h1-6,9,12,14,17,20H,7-8,10-11,13H2,(H,22,23)
InChIKeySOSUIHGOOAJQMO-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.22
Rot. Bonds3

About 3H-benzimidazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone

3H-benzimidazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone (PubChem CID 90566646) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone
PubChem CID90566646
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name3H-benzimidazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone
SMILESO=C(c1ccc2nc[nH]c2c1)N1CCN(C2CC2)CC1c1ccccc1
InChIInChI=1S/C21H22N4O/c26-21(16-6-9-18-19(12-16)23-14-22-18)25-11-10-24(17-7-8-17)13-20(25)15-4-2-1-3-5-15/h1-6,9,12,14,17,20H,7-8,10-11,13H2,(H,22,23)
InChIKeySOSUIHGOOAJQMO-UHFFFAOYSA-N
XLogP3.22
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone?
The IUPAC name of 3H-benzimidazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone (CID 90566646) is 3H-benzimidazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone is O=C(c1ccc2nc[nH]c2c1)N1CCN(C2CC2)CC1c1ccccc1.
What is the InChIKey of 3H-benzimidazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone?
The InChIKey is SOSUIHGOOAJQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O/c26-21(16-6-9-18-19(12-16)23-14-22-18)25-11-10-24(17-7-8-17)13-20(25)15-4-2-1-3-5-15/h1-6,9,12,14,17,20H,7-8,10-11,13H2,(H,22,23).
What are the key properties of 3H-benzimidazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone?
3H-benzimidazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone has a molecular weight of 346.43 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-(4-cyclopropyl-2-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 90566646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).