1-[2-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one

C24H22FN7O2S — CID 71677963

IUPAC1-[2-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CC(=O)N2CCN(c3scnc3-c3nc4ccc(F)cc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C24H22FN7O2S/c1-29-18-4-2-3-5-19(18)32(24(29)34)13-20(33)30-8-10-31(11-9-30)23-21(26-14-35-23)22-27-16-7-6-15(25)12-17(16)28-22/h2-7,12,14H,8-11,13H2,1H3,(H,27,28)
InChIKeyFCNACKBPZZDCHI-UHFFFAOYSA-N
MW491.55 g/mol
LogP2.83
Rot. Bonds4

About 1-[2-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one

1-[2-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one (PubChem CID 71677963) has the molecular formula C24H22FN7O2S and a molecular weight of 491.55 g/mol. Its IUPAC name is 1-[2-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[2-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
PubChem CID71677963
Molecular FormulaC24H22FN7O2S
Molecular Weight491.55 g/mol
Exact Mass491.15
IUPAC Name1-[2-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CC(=O)N2CCN(c3scnc3-c3nc4ccc(F)cc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C24H22FN7O2S/c1-29-18-4-2-3-5-19(18)32(24(29)34)13-20(33)30-8-10-31(11-9-30)23-21(26-14-35-23)22-27-16-7-6-15(25)12-17(16)28-22/h2-7,12,14H,8-11,13H2,1H3,(H,27,28)
InChIKeyFCNACKBPZZDCHI-UHFFFAOYSA-N
XLogP2.83
TPSA92.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[2-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one (CID 71677963) is 1-[2-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[2-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[2-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one is Cn1c(=O)n(CC(=O)N2CCN(c3scnc3-c3nc4ccc(F)cc4[nH]3)CC2)c2ccccc21.
What is the InChIKey of 1-[2-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one?
The InChIKey is FCNACKBPZZDCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7O2S/c1-29-18-4-2-3-5-19(18)32(24(29)34)13-20(33)30-8-10-31(11-9-30)23-21(26-14-35-23)22-27-16-7-6-15(25)12-17(16)28-22/h2-7,12,14H,8-11,13H2,1H3,(H,27,28).
What are the key properties of 1-[2-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one?
1-[2-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one has a molecular weight of 491.55 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)-1,3-thiazol-5-yl]piperazin-1-yl]-2-oxoethyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 71677963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).