N-[(1-methylbenzimidazol-2-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

C20H19N5O2 — CID 134041392

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NCc3nc4ccccc4n3C)cnc12
InChIInChI=1S/C20H19N5O2/c1-13-6-5-7-14-19(13)22-12-25(20(14)27)11-18(26)21-10-17-23-15-8-3-4-9-16(15)24(17)2/h3-9,12H,10-11H2,1-2H3,(H,21,26)
InChIKeyFDTSWWLSMCZFSW-UHFFFAOYSA-N
MW361.41 g/mol
LogP1.91
Rot. Bonds4

About N-[(1-methylbenzimidazol-2-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide

N-[(1-methylbenzimidazol-2-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 134041392) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID134041392
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)NCc3nc4ccccc4n3C)cnc12
InChIInChI=1S/C20H19N5O2/c1-13-6-5-7-14-19(13)22-12-25(20(14)27)11-18(26)21-10-17-23-15-8-3-4-9-16(15)24(17)2/h3-9,12H,10-11H2,1-2H3,(H,21,26)
InChIKeyFDTSWWLSMCZFSW-UHFFFAOYSA-N
XLogP1.91
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(2-methylpropoxy)phenyl]methyl]acetamide
CID 55897690
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(2R)-pentan-2-yl]acetamide
CID 41103569
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 46664447
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55475405
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 27022306
N-[2-(dimethylamino)-3-phenylpropyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 51270885
2-[[2-(8-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60544932
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 27016148
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 27016294
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide
CID 30693618
N-(1-methoxypropan-2-yl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397674
2-(8-methyl-4-oxoquinazolin-3-yl)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 51298592

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide (CID 134041392) is N-[(1-methylbenzimidazol-2-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is Cc1cccc2c(=O)n(CC(=O)NCc3nc4ccccc4n3C)cnc12.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is FDTSWWLSMCZFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-13-6-5-7-14-19(13)22-12-25(20(14)27)11-18(26)21-10-17-23-15-8-3-4-9-16(15)24(17)2/h3-9,12H,10-11H2,1-2H3,(H,21,26).
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide?
N-[(1-methylbenzimidazol-2-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 361.41 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 134041392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).