N,N-dimethyl-2-[2-(1-phenylimidazol-2-yl)ethyl]quinazolin-4-amine

C21H21N5 — CID 165414979

IUPACN,N-dimethyl-2-[2-(1-phenylimidazol-2-yl)ethyl]quinazolin-4-amine
SMILESCN(C)c1nc(CCc2nccn2-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H21N5/c1-25(2)21-17-10-6-7-11-18(17)23-19(24-21)12-13-20-22-14-15-26(20)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3
InChIKeyJVMUQHQDDADBFY-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.67
Rot. Bonds5

About N,N-dimethyl-2-[2-(1-phenylimidazol-2-yl)ethyl]quinazolin-4-amine

N,N-dimethyl-2-[2-(1-phenylimidazol-2-yl)ethyl]quinazolin-4-amine (PubChem CID 165414979) has the molecular formula C21H21N5 and a molecular weight of 343.43 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-(1-phenylimidazol-2-yl)ethyl]quinazolin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-(1-phenylimidazol-2-yl)ethyl]quinazolin-4-amine
PubChem CID165414979
Molecular FormulaC21H21N5
Molecular Weight343.43 g/mol
Exact Mass343.18
IUPAC NameN,N-dimethyl-2-[2-(1-phenylimidazol-2-yl)ethyl]quinazolin-4-amine
SMILESCN(C)c1nc(CCc2nccn2-c2ccccc2)nc2ccccc12
InChIInChI=1S/C21H21N5/c1-25(2)21-17-10-6-7-11-18(17)23-19(24-21)12-13-20-22-14-15-26(20)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3
InChIKeyJVMUQHQDDADBFY-UHFFFAOYSA-N
XLogP3.67
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-(1-phenylimidazol-2-yl)ethyl]quinazolin-4-amine?
The IUPAC name of N,N-dimethyl-2-[2-(1-phenylimidazol-2-yl)ethyl]quinazolin-4-amine (CID 165414979) is N,N-dimethyl-2-[2-(1-phenylimidazol-2-yl)ethyl]quinazolin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[2-(1-phenylimidazol-2-yl)ethyl]quinazolin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[2-(1-phenylimidazol-2-yl)ethyl]quinazolin-4-amine is CN(C)c1nc(CCc2nccn2-c2ccccc2)nc2ccccc12.
What is the InChIKey of N,N-dimethyl-2-[2-(1-phenylimidazol-2-yl)ethyl]quinazolin-4-amine?
The InChIKey is JVMUQHQDDADBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5/c1-25(2)21-17-10-6-7-11-18(17)23-19(24-21)12-13-20-22-14-15-26(20)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-(1-phenylimidazol-2-yl)ethyl]quinazolin-4-amine?
N,N-dimethyl-2-[2-(1-phenylimidazol-2-yl)ethyl]quinazolin-4-amine has a molecular weight of 343.43 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-(1-phenylimidazol-2-yl)ethyl]quinazolin-4-amine is sourced from PubChem (CID 165414979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).