3-[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole

C16H18ClN5O — CID 97008764

IUPAC3-[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc([C@H]2CCCN2Cc2nc3cc(Cl)ccc3n2C)no1
InChIInChI=1S/C16H18ClN5O/c1-10-18-16(20-23-10)14-4-3-7-22(14)9-15-19-12-8-11(17)5-6-13(12)21(15)2/h5-6,8,14H,3-4,7,9H2,1-2H3/t14-/m1/s1
InChIKeyIPXIRVBXSBFIMD-CQSZACIVSA-N
MW331.81 g/mol
LogP3.26
Rot. Bonds3

About 3-[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole

3-[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole (PubChem CID 97008764) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is 3-[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole
PubChem CID97008764
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name3-[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc([C@H]2CCCN2Cc2nc3cc(Cl)ccc3n2C)no1
InChIInChI=1S/C16H18ClN5O/c1-10-18-16(20-23-10)14-4-3-7-22(14)9-15-19-12-8-11(17)5-6-13(12)21(15)2/h5-6,8,14H,3-4,7,9H2,1-2H3/t14-/m1/s1
InChIKeyIPXIRVBXSBFIMD-CQSZACIVSA-N
XLogP3.26
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole
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[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]methanol
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1-[4-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
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3-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propyl]-1,3-benzoxazol-2-one
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3-[2-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 106420185
3-[2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethyl]quinazolin-4-one
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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole (CID 97008764) is 3-[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole is Cc1nc([C@H]2CCCN2Cc2nc3cc(Cl)ccc3n2C)no1.
What is the InChIKey of 3-[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is IPXIRVBXSBFIMD-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18ClN5O/c1-10-18-16(20-23-10)14-4-3-7-22(14)9-15-19-12-8-11(17)5-6-13(12)21(15)2/h5-6,8,14H,3-4,7,9H2,1-2H3/t14-/m1/s1.
What are the key properties of 3-[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole?
3-[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 331.81 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-1-[(5-chloro-1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 97008764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).