N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide

C22H23N5O3 — CID 125343401

IUPACN-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOCCn1c([C@@H](C)NC(=O)Cn2cnc3ccccc3c2=O)nc2ccccc21
InChIInChI=1S/C22H23N5O3/c1-15(21-25-18-9-5-6-10-19(18)27(21)11-12-30-2)24-20(28)13-26-14-23-17-8-4-3-7-16(17)22(26)29/h3-10,14-15H,11-13H2,1-2H3,(H,24,28)/t15-/m1/s1
InChIKeySFZGSIWUEHTFGK-OAHLLOKOSA-N
MW405.46 g/mol
LogP2.27
Rot. Bonds7

About N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 125343401) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID125343401
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCOCCn1c([C@@H](C)NC(=O)Cn2cnc3ccccc3c2=O)nc2ccccc21
InChIInChI=1S/C22H23N5O3/c1-15(21-25-18-9-5-6-10-19(18)27(21)11-12-30-2)24-20(28)13-26-14-23-17-8-4-3-7-16(17)22(26)29/h3-10,14-15H,11-13H2,1-2H3,(H,24,28)/t15-/m1/s1
InChIKeySFZGSIWUEHTFGK-OAHLLOKOSA-N
XLogP2.27
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971833
2-methoxy-N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969225
N-[1-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16968622
2-(4-oxothieno[2,3-d]pyrimidin-3-yl)-N-[(1R)-1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]acetamide
CID 92626378
N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 124850734
N-[(2R)-butan-2-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 7874878
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 91821956
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 18116306
2-(2,5-dimethylphenoxy)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]acetamide
CID 16972157
3-methoxy-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17010214
N-[1-(4-methoxyphenyl)-2-methylpropyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 51212553
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]furan-2-carboxamide
CID 16619750

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 125343401) is N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide is COCCn1c([C@@H](C)NC(=O)Cn2cnc3ccccc3c2=O)nc2ccccc21.
What is the InChIKey of N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is SFZGSIWUEHTFGK-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-15(21-25-18-9-5-6-10-19(18)27(21)11-12-30-2)24-20(28)13-26-14-23-17-8-4-3-7-16(17)22(26)29/h3-10,14-15H,11-13H2,1-2H3,(H,24,28)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 405.46 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 125343401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).