4-[5-(dimethylamino)-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

C17H17N7O — CID 164861472

IUPAC4-[5-(dimethylamino)-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCN(C)c1ccc2c(c1)nc(-c1nonc1N)n2Cc1cccnc1
InChIInChI=1S/C17H17N7O/c1-23(2)12-5-6-14-13(8-12)20-17(15-16(18)22-25-21-15)24(14)10-11-4-3-7-19-9-11/h3-9H,10H2,1-2H3,(H2,18,22)
InChIKeyNTLXCFIFGGEWPO-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.18
Rot. Bonds4

About 4-[5-(dimethylamino)-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine

4-[5-(dimethylamino)-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (PubChem CID 164861472) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is 4-[5-(dimethylamino)-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.

Molecular Properties

Compound Name4-[5-(dimethylamino)-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
PubChem CID164861472
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC Name4-[5-(dimethylamino)-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
SMILESCN(C)c1ccc2c(c1)nc(-c1nonc1N)n2Cc1cccnc1
InChIInChI=1S/C17H17N7O/c1-23(2)12-5-6-14-13(8-12)20-17(15-16(18)22-25-21-15)24(14)10-11-4-3-7-19-9-11/h3-9H,10H2,1-2H3,(H2,18,22)
InChIKeyNTLXCFIFGGEWPO-UHFFFAOYSA-N
XLogP2.18
TPSA98.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[6-fluoro-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861697
2-ethyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
CID 55079755
4-[4-fluoro-1-(pyrimidin-5-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861581
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
2-(chloromethyl)-5-methyl-1-(pyridin-3-ylmethyl)benzimidazole
CID 43660329
2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
CID 62506035
4-[3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 164861740
3-ethyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazole
CID 164861541
N-methyl-4-[1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-thiadiazol-3-amine
CID 164861414
4-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 53216173
4-(1-butan-2-ylimidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-amine
CID 69158193
[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-7-yl]phenyl]methanol;hydrochloride
CID 69159412

Frequently Asked Questions

What is the IUPAC name of 4-[5-(dimethylamino)-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The IUPAC name of 4-[5-(dimethylamino)-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine (CID 164861472) is 4-[5-(dimethylamino)-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine.
What is the SMILES notation for 4-[5-(dimethylamino)-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The canonical SMILES for 4-[5-(dimethylamino)-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is CN(C)c1ccc2c(c1)nc(-c1nonc1N)n2Cc1cccnc1.
What is the InChIKey of 4-[5-(dimethylamino)-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
The InChIKey is NTLXCFIFGGEWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-23(2)12-5-6-14-13(8-12)20-17(15-16(18)22-25-21-15)24(14)10-11-4-3-7-19-9-11/h3-9H,10H2,1-2H3,(H2,18,22).
What are the key properties of 4-[5-(dimethylamino)-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine?
4-[5-(dimethylamino)-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine has a molecular weight of 335.37 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(dimethylamino)-1-(pyridin-3-ylmethyl)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine is sourced from PubChem (CID 164861472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).