4-[1-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

C17H12N9O- — CID 6968814

IUPAC4-[1-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ccccc2n1Cc1cccc(-c2nnn[n-]2)c1
InChIInChI=1S/C17H12N9O/c18-15-14(22-27-23-15)17-19-12-6-1-2-7-13(12)26(17)9-10-4-3-5-11(8-10)16-20-24-25-21-16/h1-8H,9H2,(H2-,18,20,21,23,24,25)/q-1
InChIKeyQEOONQARHDKAPM-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.53
Rot. Bonds4

About 4-[1-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

4-[1-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 6968814) has the molecular formula C17H12N9O- and a molecular weight of 358.35 g/mol. Its IUPAC name is 4-[1-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[1-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID6968814
Molecular FormulaC17H12N9O-
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name4-[1-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESNc1nonc1-c1nc2ccccc2n1Cc1cccc(-c2nnn[n-]2)c1
InChIInChI=1S/C17H12N9O/c18-15-14(22-27-23-15)17-19-12-6-1-2-7-13(12)26(17)9-10-4-3-5-11(8-10)16-20-24-25-21-16/h1-8H,9H2,(H2-,18,20,21,23,24,25)/q-1
InChIKeyQEOONQARHDKAPM-UHFFFAOYSA-N
XLogP1.53
TPSA135.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 4-[1-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine with MolForge

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Related Compounds

4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861697
1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole
CID 17000494
3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
CID 888730
2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 4624826
4-[5-(dimethylamino)-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861472
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
N-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-1-phenylethylidene]hydroxylamine;methoxymethane
CID 173038968
4-[1-[(1-methylpyrrolidin-2-yl)methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 10308401
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide
CID 1096323
N-(2-aminoethyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide;2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(2-hydroxyethyl)acetamide;methane
CID 159795425
4-[1-(2-methoxyimino-2-phenylethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 72806687
3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol
CID 15388681

Frequently Asked Questions

What is the IUPAC name of 4-[1-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[1-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 6968814) is 4-[1-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[1-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[1-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is Nc1nonc1-c1nc2ccccc2n1Cc1cccc(-c2nnn[n-]2)c1.
What is the InChIKey of 4-[1-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is QEOONQARHDKAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N9O/c18-15-14(22-27-23-15)17-19-12-6-1-2-7-13(12)26(17)9-10-4-3-5-11(8-10)16-20-24-25-21-16/h1-8H,9H2,(H2-,18,20,21,23,24,25)/q-1.
What are the key properties of 4-[1-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[1-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 358.35 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[3-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)phenyl]methyl]benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 6968814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).