N,N-diethyl-5-[1-[(2-ethyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]pyridin-2-amine

C22H25N5O — CID 166628408

IUPACN,N-diethyl-5-[1-[(2-ethyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]pyridin-2-amine
SMILESCCc1ncc(Cn2c(-c3ccc(N(CC)CC)nc3)nc3ccccc32)o1
InChIInChI=1S/C22H25N5O/c1-4-21-24-14-17(28-21)15-27-19-10-8-7-9-18(19)25-22(27)16-11-12-20(23-13-16)26(5-2)6-3/h7-14H,4-6,15H2,1-3H3
InChIKeyFMDLAPZPJZVSRU-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.54
Rot. Bonds7

About N,N-diethyl-5-[1-[(2-ethyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]pyridin-2-amine

N,N-diethyl-5-[1-[(2-ethyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]pyridin-2-amine (PubChem CID 166628408) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N,N-diethyl-5-[1-[(2-ethyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-5-[1-[(2-ethyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]pyridin-2-amine
PubChem CID166628408
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN,N-diethyl-5-[1-[(2-ethyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]pyridin-2-amine
SMILESCCc1ncc(Cn2c(-c3ccc(N(CC)CC)nc3)nc3ccccc32)o1
InChIInChI=1S/C22H25N5O/c1-4-21-24-14-17(28-21)15-27-19-10-8-7-9-18(19)25-22(27)16-11-12-20(23-13-16)26(5-2)6-3/h7-14H,4-6,15H2,1-3H3
InChIKeyFMDLAPZPJZVSRU-UHFFFAOYSA-N
XLogP4.54
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[1-[(2-ethyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]pyridin-2-amine?
The IUPAC name of N,N-diethyl-5-[1-[(2-ethyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]pyridin-2-amine (CID 166628408) is N,N-diethyl-5-[1-[(2-ethyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]pyridin-2-amine.
What is the SMILES notation for N,N-diethyl-5-[1-[(2-ethyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]pyridin-2-amine?
The canonical SMILES for N,N-diethyl-5-[1-[(2-ethyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]pyridin-2-amine is CCc1ncc(Cn2c(-c3ccc(N(CC)CC)nc3)nc3ccccc32)o1.
What is the InChIKey of N,N-diethyl-5-[1-[(2-ethyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]pyridin-2-amine?
The InChIKey is FMDLAPZPJZVSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-4-21-24-14-17(28-21)15-27-19-10-8-7-9-18(19)25-22(27)16-11-12-20(23-13-16)26(5-2)6-3/h7-14H,4-6,15H2,1-3H3.
What are the key properties of N,N-diethyl-5-[1-[(2-ethyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]pyridin-2-amine?
N,N-diethyl-5-[1-[(2-ethyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]pyridin-2-amine has a molecular weight of 375.48 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[1-[(2-ethyl-1,3-oxazol-5-yl)methyl]benzimidazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 166628408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).