3,5-dimethyl-4-[7-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-yl-3H-benzimidazol-5-yl]-1,2-oxazole

C22H23N5O — CID 121434478

IUPAC3,5-dimethyl-4-[7-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-yl-3H-benzimidazol-5-yl]-1,2-oxazole
SMILESCc1ccncc1-c1cc(-c2c(C)noc2C)cc2[nH]c(N3CCCC3)nc12
InChIInChI=1S/C22H23N5O/c1-13-6-7-23-12-18(13)17-10-16(20-14(2)26-28-15(20)3)11-19-21(17)25-22(24-19)27-8-4-5-9-27/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,24,25)
InChIKeyNQAWDSBYDKVXGK-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.81
Rot. Bonds3

About 3,5-dimethyl-4-[7-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-yl-3H-benzimidazol-5-yl]-1,2-oxazole

3,5-dimethyl-4-[7-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-yl-3H-benzimidazol-5-yl]-1,2-oxazole (PubChem CID 121434478) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 3,5-dimethyl-4-[7-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-yl-3H-benzimidazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[7-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-yl-3H-benzimidazol-5-yl]-1,2-oxazole
PubChem CID121434478
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name3,5-dimethyl-4-[7-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-yl-3H-benzimidazol-5-yl]-1,2-oxazole
SMILESCc1ccncc1-c1cc(-c2c(C)noc2C)cc2[nH]c(N3CCCC3)nc12
InChIInChI=1S/C22H23N5O/c1-13-6-7-23-12-18(13)17-10-16(20-14(2)26-28-15(20)3)11-19-21(17)25-22(24-19)27-8-4-5-9-27/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,24,25)
InChIKeyNQAWDSBYDKVXGK-UHFFFAOYSA-N
XLogP4.81
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[7-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-yl-3H-benzimidazol-5-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[7-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-yl-3H-benzimidazol-5-yl]-1,2-oxazole (CID 121434478) is 3,5-dimethyl-4-[7-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-yl-3H-benzimidazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[7-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-yl-3H-benzimidazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[7-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-yl-3H-benzimidazol-5-yl]-1,2-oxazole is Cc1ccncc1-c1cc(-c2c(C)noc2C)cc2[nH]c(N3CCCC3)nc12.
What is the InChIKey of 3,5-dimethyl-4-[7-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-yl-3H-benzimidazol-5-yl]-1,2-oxazole?
The InChIKey is NQAWDSBYDKVXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-13-6-7-23-12-18(13)17-10-16(20-14(2)26-28-15(20)3)11-19-21(17)25-22(24-19)27-8-4-5-9-27/h6-7,10-12H,4-5,8-9H2,1-3H3,(H,24,25).
What are the key properties of 3,5-dimethyl-4-[7-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-yl-3H-benzimidazol-5-yl]-1,2-oxazole?
3,5-dimethyl-4-[7-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-yl-3H-benzimidazol-5-yl]-1,2-oxazole has a molecular weight of 373.46 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[7-(4-methyl-3-pyridinyl)-2-pyrrolidin-1-yl-3H-benzimidazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 121434478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).