2-[2-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine

C19H25N5O — CID 72884806

IUPAC2-[2-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ccnc1C1CCCN(c2nc3ccccc3o2)C1
InChIInChI=1S/C19H25N5O/c1-22(2)12-13-23-11-9-20-18(23)15-6-5-10-24(14-15)19-21-16-7-3-4-8-17(16)25-19/h3-4,7-9,11,15H,5-6,10,12-14H2,1-2H3
InChIKeyDKOGPAGOAAORBI-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.97
Rot. Bonds5

About 2-[2-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine

2-[2-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 72884806) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-[2-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
PubChem CID72884806
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-[2-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
SMILESCN(C)CCn1ccnc1C1CCCN(c2nc3ccccc3o2)C1
InChIInChI=1S/C19H25N5O/c1-22(2)12-13-23-11-9-20-18(23)15-6-5-10-24(14-15)19-21-16-7-3-4-8-17(16)25-19/h3-4,7-9,11,15H,5-6,10,12-14H2,1-2H3
InChIKeyDKOGPAGOAAORBI-UHFFFAOYSA-N
XLogP2.97
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-2-[2-(1-quinolin-4-ylpiperidin-3-yl)imidazol-1-yl]ethanamine
CID 72863111
N,N-dimethyl-2-[2-[(3S)-1-(2-methylquinolin-4-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 97189808
6-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-2-carbonitrile
CID 97207615
2-[(3S)-3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1,3-benzoxazole
CID 97211645
N,N-dimethyl-2-[2-[(3R)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]imidazol-1-yl]ethanamine
CID 97211142
N,N-dimethyl-3-[2-[1-(2-methylquinolin-4-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 72838131
N,N-dimethyl-3-[2-[1-(4-methylquinolin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 72940306
N,N-dimethyl-3-[2-[(3S)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidin-3-yl]imidazol-1-yl]propan-1-amine
CID 97277170
2-[2-[(3S)-1-(2-ethyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 97275239
4-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-N,N,5,6-tetramethylpyrimidin-2-amine
CID 97273146
2-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]pyridine-3-carboxamide
CID 72895526
2-[2-[1-(benzenesulfonyl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine
CID 72909815

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine (CID 72884806) is 2-[2-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine is CN(C)CCn1ccnc1C1CCCN(c2nc3ccccc3o2)C1.
What is the InChIKey of 2-[2-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is DKOGPAGOAAORBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-22(2)12-13-23-11-9-20-18(23)15-6-5-10-24(14-15)19-21-16-7-3-4-8-17(16)25-19/h3-4,7-9,11,15H,5-6,10,12-14H2,1-2H3.
What are the key properties of 2-[2-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine?
2-[2-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 339.44 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]imidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 72884806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).