N-(2-morpholin-4-ylethyl)-5-(1-phenylbenzimidazol-5-yl)pyridin-2-amine

C24H25N5O — CID 5329406

IUPACN-(2-morpholin-4-ylethyl)-5-(1-phenylbenzimidazol-5-yl)pyridin-2-amine
SMILESc1ccc(-n2cnc3cc(-c4ccc(NCCN5CCOCC5)nc4)ccc32)cc1
InChIInChI=1S/C24H25N5O/c1-2-4-21(5-3-1)29-18-27-22-16-19(6-8-23(22)29)20-7-9-24(26-17-20)25-10-11-28-12-14-30-15-13-28/h1-9,16-18H,10-15H2,(H,25,26)
InChIKeySVVSNAWLJGLPJB-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.83
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-5-(1-phenylbenzimidazol-5-yl)pyridin-2-amine

N-(2-morpholin-4-ylethyl)-5-(1-phenylbenzimidazol-5-yl)pyridin-2-amine (PubChem CID 5329406) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-5-(1-phenylbenzimidazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-5-(1-phenylbenzimidazol-5-yl)pyridin-2-amine
PubChem CID5329406
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC NameN-(2-morpholin-4-ylethyl)-5-(1-phenylbenzimidazol-5-yl)pyridin-2-amine
SMILESc1ccc(-n2cnc3cc(-c4ccc(NCCN5CCOCC5)nc4)ccc32)cc1
InChIInChI=1S/C24H25N5O/c1-2-4-21(5-3-1)29-18-27-22-16-19(6-8-23(22)29)20-7-9-24(26-17-20)25-10-11-28-12-14-30-15-13-28/h1-9,16-18H,10-15H2,(H,25,26)
InChIKeySVVSNAWLJGLPJB-UHFFFAOYSA-N
XLogP3.83
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-5-(1-phenylbenzimidazol-5-yl)pyridin-2-amine?
The IUPAC name of N-(2-morpholin-4-ylethyl)-5-(1-phenylbenzimidazol-5-yl)pyridin-2-amine (CID 5329406) is N-(2-morpholin-4-ylethyl)-5-(1-phenylbenzimidazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-5-(1-phenylbenzimidazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-5-(1-phenylbenzimidazol-5-yl)pyridin-2-amine is c1ccc(-n2cnc3cc(-c4ccc(NCCN5CCOCC5)nc4)ccc32)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-5-(1-phenylbenzimidazol-5-yl)pyridin-2-amine?
The InChIKey is SVVSNAWLJGLPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-2-4-21(5-3-1)29-18-27-22-16-19(6-8-23(22)29)20-7-9-24(26-17-20)25-10-11-28-12-14-30-15-13-28/h1-9,16-18H,10-15H2,(H,25,26).
What are the key properties of N-(2-morpholin-4-ylethyl)-5-(1-phenylbenzimidazol-5-yl)pyridin-2-amine?
N-(2-morpholin-4-ylethyl)-5-(1-phenylbenzimidazol-5-yl)pyridin-2-amine has a molecular weight of 399.50 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-5-(1-phenylbenzimidazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 5329406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).