1-[2-[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one

C20H30N4O3 — CID 75395920

IUPAC1-[2-[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
SMILESCCCC1CN(C(=O)Cn2c(=O)n(C)c3ccccc32)CCN1CCOC
InChIInChI=1S/C20H30N4O3/c1-4-7-16-14-23(11-10-22(16)12-13-27-3)19(25)15-24-18-9-6-5-8-17(18)21(2)20(24)26/h5-6,8-9,16H,4,7,10-15H2,1-3H3
InChIKeyOOPGKZZKYVLYTB-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.30
Rot. Bonds7

About 1-[2-[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one

1-[2-[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one (PubChem CID 75395920) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[2-[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
PubChem CID75395920
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name1-[2-[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
SMILESCCCC1CN(C(=O)Cn2c(=O)n(C)c3ccccc32)CCN1CCOC
InChIInChI=1S/C20H30N4O3/c1-4-7-16-14-23(11-10-22(16)12-13-27-3)19(25)15-24-18-9-6-5-8-17(18)21(2)20(24)26/h5-6,8-9,16H,4,7,10-15H2,1-3H3
InChIKeyOOPGKZZKYVLYTB-UHFFFAOYSA-N
XLogP1.30
TPSA59.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[2-[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one (CID 75395920) is 1-[2-[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[2-[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[2-[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one is CCCC1CN(C(=O)Cn2c(=O)n(C)c3ccccc32)CCN1CCOC.
What is the InChIKey of 1-[2-[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one?
The InChIKey is OOPGKZZKYVLYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-4-7-16-14-23(11-10-22(16)12-13-27-3)19(25)15-24-18-9-6-5-8-17(18)21(2)20(24)26/h5-6,8-9,16H,4,7,10-15H2,1-3H3.
What are the key properties of 1-[2-[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one?
1-[2-[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one has a molecular weight of 374.49 g/mol, XLogP of 1.30, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-methoxyethyl)-3-propylpiperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 75395920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).