N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide

C19H17N5O3 — CID 131938928

IUPACN-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCC(O)c1nc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2[nH]1
InChIInChI=1S/C19H17N5O3/c1-11(25)18-22-15-7-6-12(8-16(15)23-18)21-17(26)9-24-10-20-14-5-3-2-4-13(14)19(24)27/h2-8,10-11,25H,9H2,1H3,(H,21,26)(H,22,23)
InChIKeyBVQSBXGZVTZJKU-UHFFFAOYSA-N
MW363.38 g/mol
LogP1.96
Rot. Bonds4

About N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 131938928) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID131938928
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC NameN-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCC(O)c1nc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2[nH]1
InChIInChI=1S/C19H17N5O3/c1-11(25)18-22-15-7-6-12(8-16(15)23-18)21-17(26)9-24-10-20-14-5-3-2-4-13(14)19(24)27/h2-8,10-11,25H,9H2,1H3,(H,21,26)(H,22,23)
InChIKeyBVQSBXGZVTZJKU-UHFFFAOYSA-N
XLogP1.96
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-butyl-3H-benzimidazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 47775569
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
N-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 39310773
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 18116306
N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
2-methyl-N-[4-methyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 55708476
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 26682960
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2524126
N,N-diethyl-3-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 27892984

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 131938928) is N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide is CC(O)c1nc2ccc(NC(=O)Cn3cnc4ccccc4c3=O)cc2[nH]1.
What is the InChIKey of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is BVQSBXGZVTZJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-11(25)18-22-15-7-6-12(8-16(15)23-18)21-17(26)9-24-10-20-14-5-3-2-4-13(14)19(24)27/h2-8,10-11,25H,9H2,1H3,(H,21,26)(H,22,23).
What are the key properties of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 363.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 131938928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).