1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine

C18H22FN5O — CID 71928423

IUPAC1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1cnc(CN(C)C2CCN(Cc3nc4c(F)cccc4[nH]3)C2)o1
InChIInChI=1S/C18H22FN5O/c1-12-8-20-17(25-12)11-23(2)13-6-7-24(9-13)10-16-21-15-5-3-4-14(19)18(15)22-16/h3-5,8,13H,6-7,9-11H2,1-2H3,(H,21,22)
InChIKeyGLISLXZKKRYDOJ-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.70
Rot. Bonds5

About 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine

1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 71928423) has the molecular formula C18H22FN5O and a molecular weight of 343.41 g/mol. Its IUPAC name is 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID71928423
Molecular FormulaC18H22FN5O
Molecular Weight343.41 g/mol
Exact Mass343.18
IUPAC Name1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1cnc(CN(C)C2CCN(Cc3nc4c(F)cccc4[nH]3)C2)o1
InChIInChI=1S/C18H22FN5O/c1-12-8-20-17(25-12)11-23(2)13-6-7-24(9-13)10-16-21-15-5-3-4-14(19)18(15)22-16/h3-5,8,13H,6-7,9-11H2,1-2H3,(H,21,22)
InChIKeyGLISLXZKKRYDOJ-UHFFFAOYSA-N
XLogP2.70
TPSA61.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (CID 71928423) is 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is Cc1cnc(CN(C)C2CCN(Cc3nc4c(F)cccc4[nH]3)C2)o1.
What is the InChIKey of 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is GLISLXZKKRYDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN5O/c1-12-8-20-17(25-12)11-23(2)13-6-7-24(9-13)10-16-21-15-5-3-4-14(19)18(15)22-16/h3-5,8,13H,6-7,9-11H2,1-2H3,(H,21,22).
What are the key properties of 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 343.41 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71928423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).