N,N-dimethyl-4-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]aniline

C18H23N7 — CID 70747868

IUPACN,N-dimethyl-4-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]aniline
SMILESCN(C)c1ccc(-n2ccnc2-c2cn(C3CCNCC3)nn2)cc1
InChIInChI=1S/C18H23N7/c1-23(2)14-3-5-15(6-4-14)24-12-11-20-18(24)17-13-25(22-21-17)16-7-9-19-10-8-16/h3-6,11-13,16,19H,7-10H2,1-2H3
InChIKeyHORYHLGKUZPRSO-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.12
Rot. Bonds4

About N,N-dimethyl-4-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]aniline

N,N-dimethyl-4-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]aniline (PubChem CID 70747868) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]aniline
PubChem CID70747868
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC NameN,N-dimethyl-4-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]aniline
SMILESCN(C)c1ccc(-n2ccnc2-c2cn(C3CCNCC3)nn2)cc1
InChIInChI=1S/C18H23N7/c1-23(2)14-3-5-15(6-4-14)24-12-11-20-18(24)17-13-25(22-21-17)16-7-9-19-10-8-16/h3-6,11-13,16,19H,7-10H2,1-2H3
InChIKeyHORYHLGKUZPRSO-UHFFFAOYSA-N
XLogP2.12
TPSA63.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]aniline (CID 70747868) is N,N-dimethyl-4-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]aniline is CN(C)c1ccc(-n2ccnc2-c2cn(C3CCNCC3)nn2)cc1.
What is the InChIKey of N,N-dimethyl-4-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]aniline?
The InChIKey is HORYHLGKUZPRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-23(2)14-3-5-15(6-4-14)24-12-11-20-18(24)17-13-25(22-21-17)16-7-9-19-10-8-16/h3-6,11-13,16,19H,7-10H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]aniline?
N,N-dimethyl-4-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]aniline has a molecular weight of 337.43 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[2-(1-piperidin-4-yltriazol-4-yl)imidazol-1-yl]aniline is sourced from PubChem (CID 70747868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).