(3S)-3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]cyclopentan-1-one

C24H19N3O3 — CID 46215205

IUPAC(3S)-3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]cyclopentan-1-one
SMILESO=C1CC[C@H](c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)C1
InChIInChI=1S/C24H19N3O3/c28-17-10-7-16(14-17)19-4-3-13-25-24(19)30-18-11-8-15(9-12-18)22(29)23-26-20-5-1-2-6-21(20)27-23/h1-6,8-9,11-13,16H,7,10,14H2,(H,26,27)/t16-/m0/s1
InChIKeyCMAUYGZSACSSCR-INIZCTEOSA-N
MW397.43 g/mol
LogP4.82
Rot. Bonds5

About (3S)-3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]cyclopentan-1-one

(3S)-3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]cyclopentan-1-one (PubChem CID 46215205) has the molecular formula C24H19N3O3 and a molecular weight of 397.43 g/mol. Its IUPAC name is (3S)-3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]cyclopentan-1-one.

Molecular Properties

Compound Name(3S)-3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]cyclopentan-1-one
PubChem CID46215205
Molecular FormulaC24H19N3O3
Molecular Weight397.43 g/mol
Exact Mass397.14
IUPAC Name(3S)-3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]cyclopentan-1-one
SMILESO=C1CC[C@H](c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)C1
InChIInChI=1S/C24H19N3O3/c28-17-10-7-16(14-17)19-4-3-13-25-24(19)30-18-11-8-15(9-12-18)22(29)23-26-20-5-1-2-6-21(20)27-23/h1-6,8-9,11-13,16H,7,10,14H2,(H,26,27)/t16-/m0/s1
InChIKeyCMAUYGZSACSSCR-INIZCTEOSA-N
XLogP4.82
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]cyclopentan-1-one?
The IUPAC name of (3S)-3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]cyclopentan-1-one (CID 46215205) is (3S)-3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]cyclopentan-1-one.
What is the SMILES notation for (3S)-3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]cyclopentan-1-one?
The canonical SMILES for (3S)-3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]cyclopentan-1-one is O=C1CC[C@H](c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)C1.
What is the InChIKey of (3S)-3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]cyclopentan-1-one?
The InChIKey is CMAUYGZSACSSCR-INIZCTEOSA-N. The full InChI is InChI=1S/C24H19N3O3/c28-17-10-7-16(14-17)19-4-3-13-25-24(19)30-18-11-8-15(9-12-18)22(29)23-26-20-5-1-2-6-21(20)27-23/h1-6,8-9,11-13,16H,7,10,14H2,(H,26,27)/t16-/m0/s1.
What are the key properties of (3S)-3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]cyclopentan-1-one?
(3S)-3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]cyclopentan-1-one has a molecular weight of 397.43 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[2-[4-(1H-benzimidazole-2-carbonyl)phenoxy]-3-pyridinyl]cyclopentan-1-one is sourced from PubChem (CID 46215205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).