[2-[5-[2-(3,5-dimethoxyphenyl)ethyl]pyrazolidin-3-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone

C25H31N5O4 — CID 139208196

IUPAC[2-[5-[2-(3,5-dimethoxyphenyl)ethyl]pyrazolidin-3-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(CCC2CC(c3nc4ccc(C(=O)N5CCOCC5)cc4[nH]3)NN2)cc(OC)c1
InChIInChI=1S/C25H31N5O4/c1-32-19-11-16(12-20(15-19)33-2)3-5-18-14-23(29-28-18)24-26-21-6-4-17(13-22(21)27-24)25(31)30-7-9-34-10-8-30/h4,6,11-13,15,18,23,28-29H,3,5,7-10,14H2,1-2H3,(H,26,27)
InChIKeyGUNAQVOXJJMLTC-UHFFFAOYSA-N
MW465.55 g/mol
LogP2.59
Rot. Bonds7

About [2-[5-[2-(3,5-dimethoxyphenyl)ethyl]pyrazolidin-3-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone

[2-[5-[2-(3,5-dimethoxyphenyl)ethyl]pyrazolidin-3-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 139208196) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is [2-[5-[2-(3,5-dimethoxyphenyl)ethyl]pyrazolidin-3-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[5-[2-(3,5-dimethoxyphenyl)ethyl]pyrazolidin-3-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone
PubChem CID139208196
Molecular FormulaC25H31N5O4
Molecular Weight465.55 g/mol
Exact Mass465.24
IUPAC Name[2-[5-[2-(3,5-dimethoxyphenyl)ethyl]pyrazolidin-3-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone
SMILESCOc1cc(CCC2CC(c3nc4ccc(C(=O)N5CCOCC5)cc4[nH]3)NN2)cc(OC)c1
InChIInChI=1S/C25H31N5O4/c1-32-19-11-16(12-20(15-19)33-2)3-5-18-14-23(29-28-18)24-26-21-6-4-17(13-22(21)27-24)25(31)30-7-9-34-10-8-30/h4,6,11-13,15,18,23,28-29H,3,5,7-10,14H2,1-2H3,(H,26,27)
InChIKeyGUNAQVOXJJMLTC-UHFFFAOYSA-N
XLogP2.59
TPSA100.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-[5-[2-(3,5-dimethoxyphenyl)ethyl]pyrazolidin-3-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[5-[2-(3,5-dimethoxyphenyl)ethyl]pyrazolidin-3-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone (CID 139208196) is [2-[5-[2-(3,5-dimethoxyphenyl)ethyl]pyrazolidin-3-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[5-[2-(3,5-dimethoxyphenyl)ethyl]pyrazolidin-3-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[5-[2-(3,5-dimethoxyphenyl)ethyl]pyrazolidin-3-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone is COc1cc(CCC2CC(c3nc4ccc(C(=O)N5CCOCC5)cc4[nH]3)NN2)cc(OC)c1.
What is the InChIKey of [2-[5-[2-(3,5-dimethoxyphenyl)ethyl]pyrazolidin-3-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is GUNAQVOXJJMLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-32-19-11-16(12-20(15-19)33-2)3-5-18-14-23(29-28-18)24-26-21-6-4-17(13-22(21)27-24)25(31)30-7-9-34-10-8-30/h4,6,11-13,15,18,23,28-29H,3,5,7-10,14H2,1-2H3,(H,26,27).
What are the key properties of [2-[5-[2-(3,5-dimethoxyphenyl)ethyl]pyrazolidin-3-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone?
[2-[5-[2-(3,5-dimethoxyphenyl)ethyl]pyrazolidin-3-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 465.55 g/mol, XLogP of 2.59, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[2-(3,5-dimethoxyphenyl)ethyl]pyrazolidin-3-yl]-3H-benzimidazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 139208196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).