N-(1,2-diethylbenzimidazol-5-yl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide

C22H27N5O2 — CID 131901626

IUPACN-(1,2-diethylbenzimidazol-5-yl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESCCc1nc2cc(NC(=O)C(c3cccnc3)N3CCOCC3)ccc2n1CC
InChIInChI=1S/C22H27N5O2/c1-3-20-25-18-14-17(7-8-19(18)27(20)4-2)24-22(28)21(16-6-5-9-23-15-16)26-10-12-29-13-11-26/h5-9,14-15,21H,3-4,10-13H2,1-2H3,(H,24,28)
InChIKeyUFZPFNMUCJHIJW-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.03
Rot. Bonds6

About N-(1,2-diethylbenzimidazol-5-yl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide

N-(1,2-diethylbenzimidazol-5-yl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide (PubChem CID 131901626) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(1,2-diethylbenzimidazol-5-yl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-(1,2-diethylbenzimidazol-5-yl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
PubChem CID131901626
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-(1,2-diethylbenzimidazol-5-yl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide
SMILESCCc1nc2cc(NC(=O)C(c3cccnc3)N3CCOCC3)ccc2n1CC
InChIInChI=1S/C22H27N5O2/c1-3-20-25-18-14-17(7-8-19(18)27(20)4-2)24-22(28)21(16-6-5-9-23-15-16)26-10-12-29-13-11-26/h5-9,14-15,21H,3-4,10-13H2,1-2H3,(H,24,28)
InChIKeyUFZPFNMUCJHIJW-UHFFFAOYSA-N
XLogP3.03
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-diethylbenzimidazol-5-yl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The IUPAC name of N-(1,2-diethylbenzimidazol-5-yl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide (CID 131901626) is N-(1,2-diethylbenzimidazol-5-yl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-(1,2-diethylbenzimidazol-5-yl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The canonical SMILES for N-(1,2-diethylbenzimidazol-5-yl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide is CCc1nc2cc(NC(=O)C(c3cccnc3)N3CCOCC3)ccc2n1CC.
What is the InChIKey of N-(1,2-diethylbenzimidazol-5-yl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
The InChIKey is UFZPFNMUCJHIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-3-20-25-18-14-17(7-8-19(18)27(20)4-2)24-22(28)21(16-6-5-9-23-15-16)26-10-12-29-13-11-26/h5-9,14-15,21H,3-4,10-13H2,1-2H3,(H,24,28).
What are the key properties of N-(1,2-diethylbenzimidazol-5-yl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide?
N-(1,2-diethylbenzimidazol-5-yl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide has a molecular weight of 393.49 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diethylbenzimidazol-5-yl)-2-morpholin-4-yl-2-pyridin-3-ylacetamide is sourced from PubChem (CID 131901626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).