3H-benzimidazol-5-yl-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

C19H20N4O2 — CID 24818361

IUPAC3H-benzimidazol-5-yl-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)c1
InChIInChI=1S/C19H20N4O2/c1-25-16-4-2-3-15(12-16)22-7-9-23(10-8-22)19(24)14-5-6-17-18(11-14)21-13-20-17/h2-6,11-13H,7-10H2,1H3,(H,20,21)
InChIKeyFVNOYPBUEJMUJE-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.53
Rot. Bonds3

About 3H-benzimidazol-5-yl-[4-(3-methoxyphenyl)piperazin-1-yl]methanone

3H-benzimidazol-5-yl-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 24818361) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID24818361
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name3H-benzimidazol-5-yl-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)c1
InChIInChI=1S/C19H20N4O2/c1-25-16-4-2-3-15(12-16)22-7-9-23(10-8-22)19(24)14-5-6-17-18(11-14)21-13-20-17/h2-6,11-13H,7-10H2,1H3,(H,20,21)
InChIKeyFVNOYPBUEJMUJE-UHFFFAOYSA-N
XLogP2.53
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of 3H-benzimidazol-5-yl-[4-(3-methoxyphenyl)piperazin-1-yl]methanone (CID 24818361) is 3H-benzimidazol-5-yl-[4-(3-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3ccc4nc[nH]c4c3)CC2)c1.
What is the InChIKey of 3H-benzimidazol-5-yl-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is FVNOYPBUEJMUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-25-16-4-2-3-15(12-16)22-7-9-23(10-8-22)19(24)14-5-6-17-18(11-14)21-13-20-17/h2-6,11-13H,7-10H2,1H3,(H,20,21).
What are the key properties of 3H-benzimidazol-5-yl-[4-(3-methoxyphenyl)piperazin-1-yl]methanone?
3H-benzimidazol-5-yl-[4-(3-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 336.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-[4-(3-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 24818361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).