phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

C28H27N5O2 — CID 66840430

IUPACphenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESO=C(c1ccc2nc(-c3ccccc3)[nH]c2c1)N1CCN(C2CN(C(=O)c3ccccc3)C2)CC1
InChIInChI=1S/C28H27N5O2/c34-27(21-9-5-2-6-10-21)33-18-23(19-33)31-13-15-32(16-14-31)28(35)22-11-12-24-25(17-22)30-26(29-24)20-7-3-1-4-8-20/h1-12,17,23H,13-16,18-19H2,(H,29,30)
InChIKeyFNICRFASNWCOBC-UHFFFAOYSA-N
MW465.56 g/mol
LogP3.51
Rot. Bonds4

About phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (PubChem CID 66840430) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
PubChem CID66840430
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Namephenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESO=C(c1ccc2nc(-c3ccccc3)[nH]c2c1)N1CCN(C2CN(C(=O)c3ccccc3)C2)CC1
InChIInChI=1S/C28H27N5O2/c34-27(21-9-5-2-6-10-21)33-18-23(19-33)31-13-15-32(16-14-31)28(35)22-11-12-24-25(17-22)30-26(29-24)20-7-3-1-4-8-20/h1-12,17,23H,13-16,18-19H2,(H,29,30)
InChIKeyFNICRFASNWCOBC-UHFFFAOYSA-N
XLogP3.51
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-phenyl-3H-benzimidazol-5-yl)-[4-[1-(1,3-thiazole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840197
(2-phenyl-3H-benzimidazol-5-yl)-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
CID 66840347
[4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 59625892
[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-(2-methyl-3H-benzimidazol-5-yl)methanone
CID 126891939
(4-benzylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone
CID 100580536
bis(2-phenyl-3H-benzimidazol-5-yl)methanone
CID 174583837
(4-benzhydrylpiperazin-1-yl)-[4-(6-chloro-1H-benzimidazol-2-yl)phenyl]methanone
CID 100580549
(4-phenylphenyl)-[4-[1-(1H-pyrrole-2-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840199
1-[4-[3-(1H-benzimidazol-2-yl)benzoyl]-1,4-diazepan-1-yl]ethanone
CID 119063003
3,6-dihydro-2H-pyridin-1-yl-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]methanone
CID 137256868
phenyl-[4-[1-[3-[4-(trifluoromethyl)phenyl]benzoyl]azetidin-3-yl]piperazin-1-yl]methanone
CID 66839871
phenyl-[4-[1-(1-pyrimidin-2-ylindole-5-carbonyl)azetidin-3-yl]piperazin-1-yl]methanone
CID 66840009

Frequently Asked Questions

What is the IUPAC name of phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The IUPAC name of phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (CID 66840430) is phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.
What is the SMILES notation for phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The canonical SMILES for phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is O=C(c1ccc2nc(-c3ccccc3)[nH]c2c1)N1CCN(C2CN(C(=O)c3ccccc3)C2)CC1.
What is the InChIKey of phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The InChIKey is FNICRFASNWCOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c34-27(21-9-5-2-6-10-21)33-18-23(19-33)31-13-15-32(16-14-31)28(35)22-11-12-24-25(17-22)30-26(29-24)20-7-3-1-4-8-20/h1-12,17,23H,13-16,18-19H2,(H,29,30).
What are the key properties of phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone has a molecular weight of 465.56 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[3-[4-(2-phenyl-3H-benzimidazole-5-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 66840430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).