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

C19H20N6O — CID 75424817

IUPACN-[3-(1-methylbenzimidazol-2-yl)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1noc(-c2ccnc(NCCCc3nc4ccccc4n3C)c2)n1
InChIInChI=1S/C19H20N6O/c1-13-22-19(26-24-13)14-9-11-21-17(12-14)20-10-5-8-18-23-15-6-3-4-7-16(15)25(18)2/h3-4,6-7,9,11-12H,5,8,10H2,1-2H3,(H,20,21)
InChIKeyOJKHAJVZTTZBCP-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.37
Rot. Bonds6

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

N-[3-(1-methylbenzimidazol-2-yl)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 75424817) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[3-(1-methylbenzimidazol-2-yl)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[3-(1-methylbenzimidazol-2-yl)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID75424817
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC NameN-[3-(1-methylbenzimidazol-2-yl)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1noc(-c2ccnc(NCCCc3nc4ccccc4n3C)c2)n1
InChIInChI=1S/C19H20N6O/c1-13-22-19(26-24-13)14-9-11-21-17(12-14)20-10-5-8-18-23-15-6-3-4-7-16(15)25(18)2/h3-4,6-7,9,11-12H,5,8,10H2,1-2H3,(H,20,21)
InChIKeyOJKHAJVZTTZBCP-UHFFFAOYSA-N
XLogP3.37
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-4-amine
CID 133461518
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 71983544
4,6-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrimidin-2-amine
CID 133346658
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
6-[3-(1-methylbenzimidazol-2-yl)propylamino]pyridine-2-carbonitrile
CID 122132143
N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-methylsulfanylpyridazin-3-amine
CID 133346760
N-[3-(1-methylbenzimidazol-2-yl)propyl]-6-(3-methylpyrazol-1-yl)pyridazin-3-amine
CID 133346670
3-(3-methoxyphenyl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1,2,4-oxadiazol-5-amine
CID 133346672
3-chloro-N-[3-(1-methylbenzimidazol-2-yl)propyl]pyridin-4-amine
CID 133346675
3-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]butan-1-amine
CID 83962051
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(1-methylpiperidin-4-yl)pyridin-2-amine
CID 133383380
3-(1-methylbenzimidazol-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 83962036

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-[3-(1-methylbenzimidazol-2-yl)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 75424817) is N-[3-(1-methylbenzimidazol-2-yl)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-[3-(1-methylbenzimidazol-2-yl)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-[3-(1-methylbenzimidazol-2-yl)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is Cc1noc(-c2ccnc(NCCCc3nc4ccccc4n3C)c2)n1.
What is the InChIKey of N-[3-(1-methylbenzimidazol-2-yl)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is OJKHAJVZTTZBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c1-13-22-19(26-24-13)14-9-11-21-17(12-14)20-10-5-8-18-23-15-6-3-4-7-16(15)25(18)2/h3-4,6-7,9,11-12H,5,8,10H2,1-2H3,(H,20,21).
What are the key properties of N-[3-(1-methylbenzimidazol-2-yl)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-[3-(1-methylbenzimidazol-2-yl)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 348.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methylbenzimidazol-2-yl)propyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 75424817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).