N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide

C21H23N5O — CID 72872117

IUPACN-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide
SMILESCc1nc(CNC(=O)Cn2ccnc2-c2ccccc2)nc2c1CCCC2
InChIInChI=1S/C21H23N5O/c1-15-17-9-5-6-10-18(17)25-19(24-15)13-23-20(27)14-26-12-11-22-21(26)16-7-3-2-4-8-16/h2-4,7-8,11-12H,5-6,9-10,13-14H2,1H3,(H,23,27)
InChIKeyXNVBBULFGSVUIJ-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.84
Rot. Bonds5

About N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide

N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide (PubChem CID 72872117) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide
PubChem CID72872117
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC NameN-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide
SMILESCc1nc(CNC(=O)Cn2ccnc2-c2ccccc2)nc2c1CCCC2
InChIInChI=1S/C21H23N5O/c1-15-17-9-5-6-10-18(17)25-19(24-15)13-23-20(27)14-26-12-11-22-21(26)16-7-3-2-4-8-16/h2-4,7-8,11-12H,5-6,9-10,13-14H2,1H3,(H,23,27)
InChIKeyXNVBBULFGSVUIJ-UHFFFAOYSA-N
XLogP2.84
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide?
The IUPAC name of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide (CID 72872117) is N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide.
What is the SMILES notation for N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide?
The canonical SMILES for N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide is Cc1nc(CNC(=O)Cn2ccnc2-c2ccccc2)nc2c1CCCC2.
What is the InChIKey of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide?
The InChIKey is XNVBBULFGSVUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-15-17-9-5-6-10-18(17)25-19(24-15)13-23-20(27)14-26-12-11-22-21(26)16-7-3-2-4-8-16/h2-4,7-8,11-12H,5-6,9-10,13-14H2,1H3,(H,23,27).
What are the key properties of N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide?
N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)methyl]-2-(2-phenylimidazol-1-yl)acetamide is sourced from PubChem (CID 72872117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).