(1-phenylbenzimidazol-5-yl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

C25H24N6O2S — CID 66840741

IUPAC(1-phenylbenzimidazol-5-yl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)ncn2-c1ccccc1)N1CC(N2CCN(C(=O)c3cscn3)CC2)C1
InChIInChI=1S/C25H24N6O2S/c32-24(18-6-7-23-21(12-18)26-16-31(23)19-4-2-1-3-5-19)30-13-20(14-30)28-8-10-29(11-9-28)25(33)22-15-34-17-27-22/h1-7,12,15-17,20H,8-11,13-14H2
InChIKeySBJFQFVICDDYCJ-UHFFFAOYSA-N
MW472.57 g/mol
LogP2.76
Rot. Bonds4

About (1-phenylbenzimidazol-5-yl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

(1-phenylbenzimidazol-5-yl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (PubChem CID 66840741) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is (1-phenylbenzimidazol-5-yl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name(1-phenylbenzimidazol-5-yl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
PubChem CID66840741
Molecular FormulaC25H24N6O2S
Molecular Weight472.57 g/mol
Exact Mass472.17
IUPAC Name(1-phenylbenzimidazol-5-yl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)ncn2-c1ccccc1)N1CC(N2CCN(C(=O)c3cscn3)CC2)C1
InChIInChI=1S/C25H24N6O2S/c32-24(18-6-7-23-21(12-18)26-16-31(23)19-4-2-1-3-5-19)30-13-20(14-30)28-8-10-29(11-9-28)25(33)22-15-34-17-27-22/h1-7,12,15-17,20H,8-11,13-14H2
InChIKeySBJFQFVICDDYCJ-UHFFFAOYSA-N
XLogP2.76
TPSA74.57 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1-phenylbenzimidazol-5-yl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The IUPAC name of (1-phenylbenzimidazol-5-yl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (CID 66840741) is (1-phenylbenzimidazol-5-yl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.
What is the SMILES notation for (1-phenylbenzimidazol-5-yl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The canonical SMILES for (1-phenylbenzimidazol-5-yl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is O=C(c1ccc2c(c1)ncn2-c1ccccc1)N1CC(N2CCN(C(=O)c3cscn3)CC2)C1.
What is the InChIKey of (1-phenylbenzimidazol-5-yl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The InChIKey is SBJFQFVICDDYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S/c32-24(18-6-7-23-21(12-18)26-16-31(23)19-4-2-1-3-5-19)30-13-20(14-30)28-8-10-29(11-9-28)25(33)22-15-34-17-27-22/h1-7,12,15-17,20H,8-11,13-14H2.
What are the key properties of (1-phenylbenzimidazol-5-yl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
(1-phenylbenzimidazol-5-yl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone has a molecular weight of 472.57 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phenylbenzimidazol-5-yl)-[3-[4-(1,3-thiazole-4-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 66840741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).