4-[1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

C15H18N6O — CID 10308401

IUPAC4-[1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCN1CCCC1Cn1c(-c2nonc2N)nc2ccccc21
InChIInChI=1S/C15H18N6O/c1-20-8-4-5-10(20)9-21-12-7-3-2-6-11(12)17-15(21)13-14(16)19-22-18-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,16,19)
InChIKeyFSBGMEIUXMFJGJ-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.76
Rot. Bonds3

About 4-[1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

4-[1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 10308401) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-[1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID10308401
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name4-[1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCN1CCCC1Cn1c(-c2nonc2N)nc2ccccc21
InChIInChI=1S/C15H18N6O/c1-20-8-4-5-10(20)9-21-12-7-3-2-6-11(12)17-15(21)13-14(16)19-22-18-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,16,19)
InChIKeyFSBGMEIUXMFJGJ-UHFFFAOYSA-N
XLogP1.76
TPSA86.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 16762989
N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-phenylethylidene]hydroxylamine;methoxymethane
CID 173038968
2-methyl-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-5-amine
CID 114137819
N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-(4-chlorophenyl)ethylidene]hydroxylamine;methoxymethane
CID 173038985
4-[1-(2-methoxyimino-2-phenylethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 72806687
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-methylacetamide;methanamine;methyl 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetate
CID 159638026
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 5298813
4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine;4-[1-(2-trimethylsilylethoxymethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 159906434
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide
CID 1096323
4-ethoxy-1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-amine
CID 106019994
4-[1-[(2E)-2-methoxyimino-2-(3-methoxyphenyl)ethyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 11280377
2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117164354

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 10308401) is 4-[1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is CN1CCCC1Cn1c(-c2nonc2N)nc2ccccc21.
What is the InChIKey of 4-[1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is FSBGMEIUXMFJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-20-8-4-5-10(20)9-21-12-7-3-2-6-11(12)17-15(21)13-14(16)19-22-18-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,16,19).
What are the key properties of 4-[1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 298.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 10308401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).