5-(1-ethylbenzimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine

C20H19N7O — CID 162668318

IUPAC5-(1-ethylbenzimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCCn1c(-c2nnc(N(C)Cc3ccc4nccn4c3)o2)nc2ccccc21
InChIInChI=1S/C20H19N7O/c1-3-27-16-7-5-4-6-15(16)22-18(27)19-23-24-20(28-19)25(2)12-14-8-9-17-21-10-11-26(17)13-14/h4-11,13H,3,12H2,1-2H3
InChIKeyXBJNLLWRRSZZRR-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.39
Rot. Bonds5

About 5-(1-ethylbenzimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine

5-(1-ethylbenzimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 162668318) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 5-(1-ethylbenzimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-ethylbenzimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID162668318
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name5-(1-ethylbenzimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCCn1c(-c2nnc(N(C)Cc3ccc4nccn4c3)o2)nc2ccccc21
InChIInChI=1S/C20H19N7O/c1-3-27-16-7-5-4-6-15(16)22-18(27)19-23-24-20(28-19)25(2)12-14-8-9-17-21-10-11-26(17)13-14/h4-11,13H,3,12H2,1-2H3
InChIKeyXBJNLLWRRSZZRR-UHFFFAOYSA-N
XLogP3.39
TPSA77.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylbenzimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-ethylbenzimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine (CID 162668318) is 5-(1-ethylbenzimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-ethylbenzimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-ethylbenzimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine is CCn1c(-c2nnc(N(C)Cc3ccc4nccn4c3)o2)nc2ccccc21.
What is the InChIKey of 5-(1-ethylbenzimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is XBJNLLWRRSZZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-3-27-16-7-5-4-6-15(16)22-18(27)19-23-24-20(28-19)25(2)12-14-8-9-17-21-10-11-26(17)13-14/h4-11,13H,3,12H2,1-2H3.
What are the key properties of 5-(1-ethylbenzimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine?
5-(1-ethylbenzimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 373.42 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylbenzimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-6-ylmethyl)-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 162668318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).