N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine

C18H24N6O — CID 71928497

IUPACN-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1nnc(CN(C)C2CCN(Cc3nc4ccccc4n3C)C2)o1
InChIInChI=1S/C18H24N6O/c1-13-20-21-18(25-13)12-22(2)14-8-9-24(10-14)11-17-19-15-6-4-5-7-16(15)23(17)3/h4-7,14H,8-12H2,1-3H3
InChIKeyOZZZQUQRKMJXFO-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.97
Rot. Bonds5

About N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine

N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 71928497) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID71928497
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1nnc(CN(C)C2CCN(Cc3nc4ccccc4n3C)C2)o1
InChIInChI=1S/C18H24N6O/c1-13-20-21-18(25-13)12-22(2)14-8-9-24(10-14)11-17-19-15-6-4-5-7-16(15)23(17)3/h4-7,14H,8-12H2,1-3H3
InChIKeyOZZZQUQRKMJXFO-UHFFFAOYSA-N
XLogP1.97
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine (CID 71928497) is N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine is Cc1nnc(CN(C)C2CCN(Cc3nc4ccccc4n3C)C2)o1.
What is the InChIKey of N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is OZZZQUQRKMJXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-13-20-21-18(25-13)12-22(2)14-8-9-24(10-14)11-17-19-15-6-4-5-7-16(15)23(17)3/h4-7,14H,8-12H2,1-3H3.
What are the key properties of N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine?
N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 340.43 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 71928497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).