N,N-diethyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzimidazol-2-yl]pyridin-2-amine

C22H30N4O — CID 166627087

IUPACN,N-diethyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzimidazol-2-yl]pyridin-2-amine
SMILESCCN(CC)c1ccc(-c2nc3ccccc3n2CCOC(C)(C)C)cn1
InChIInChI=1S/C22H30N4O/c1-6-25(7-2)20-13-12-17(16-23-20)21-24-18-10-8-9-11-19(18)26(21)14-15-27-22(3,4)5/h8-13,16H,6-7,14-15H2,1-5H3
InChIKeyDSPRVTVLEILGCQ-UHFFFAOYSA-N
MW366.51 g/mol
LogP4.76
Rot. Bonds7

About N,N-diethyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzimidazol-2-yl]pyridin-2-amine

N,N-diethyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzimidazol-2-yl]pyridin-2-amine (PubChem CID 166627087) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N,N-diethyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzimidazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzimidazol-2-yl]pyridin-2-amine
PubChem CID166627087
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN,N-diethyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzimidazol-2-yl]pyridin-2-amine
SMILESCCN(CC)c1ccc(-c2nc3ccccc3n2CCOC(C)(C)C)cn1
InChIInChI=1S/C22H30N4O/c1-6-25(7-2)20-13-12-17(16-23-20)21-24-18-10-8-9-11-19(18)26(21)14-15-27-22(3,4)5/h8-13,16H,6-7,14-15H2,1-5H3
InChIKeyDSPRVTVLEILGCQ-UHFFFAOYSA-N
XLogP4.76
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzimidazol-2-yl]pyridin-2-amine?
The IUPAC name of N,N-diethyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzimidazol-2-yl]pyridin-2-amine (CID 166627087) is N,N-diethyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzimidazol-2-yl]pyridin-2-amine.
What is the SMILES notation for N,N-diethyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzimidazol-2-yl]pyridin-2-amine?
The canonical SMILES for N,N-diethyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzimidazol-2-yl]pyridin-2-amine is CCN(CC)c1ccc(-c2nc3ccccc3n2CCOC(C)(C)C)cn1.
What is the InChIKey of N,N-diethyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzimidazol-2-yl]pyridin-2-amine?
The InChIKey is DSPRVTVLEILGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-6-25(7-2)20-13-12-17(16-23-20)21-24-18-10-8-9-11-19(18)26(21)14-15-27-22(3,4)5/h8-13,16H,6-7,14-15H2,1-5H3.
What are the key properties of N,N-diethyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzimidazol-2-yl]pyridin-2-amine?
N,N-diethyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzimidazol-2-yl]pyridin-2-amine has a molecular weight of 366.51 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]benzimidazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 166627087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).