N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(4-oxoquinazolin-3-yl)hexanamide

C23H25N5O2 — CID 75490053

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-6-(4-oxoquinazolin-3-yl)hexanamide
SMILESO=C(CCCCCn1cnc2ccccc2c1=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C23H25N5O2/c29-22(24-14-13-21-26-19-10-5-6-11-20(19)27-21)12-2-1-7-15-28-16-25-18-9-4-3-8-17(18)23(28)30/h3-6,8-11,16H,1-2,7,12-15H2,(H,24,29)(H,26,27)
InChIKeyZZLKPIPTDLWTML-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.19
Rot. Bonds9

About N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(4-oxoquinazolin-3-yl)hexanamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(4-oxoquinazolin-3-yl)hexanamide (PubChem CID 75490053) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(4-oxoquinazolin-3-yl)hexanamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-6-(4-oxoquinazolin-3-yl)hexanamide
PubChem CID75490053
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-6-(4-oxoquinazolin-3-yl)hexanamide
SMILESO=C(CCCCCn1cnc2ccccc2c1=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C23H25N5O2/c29-22(24-14-13-21-26-19-10-5-6-11-20(19)27-21)12-2-1-7-15-28-16-25-18-9-4-3-8-17(18)23(28)30/h3-6,8-11,16H,1-2,7,12-15H2,(H,24,29)(H,26,27)
InChIKeyZZLKPIPTDLWTML-UHFFFAOYSA-N
XLogP3.19
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
CID 43052254
N-[2-(5-bromothiophen-2-yl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 30215788
N-[2-(2-methoxyphenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 34032078
N-[2-(3-fluorophenyl)ethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 29292801
N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 118986181
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-imidazol-1-ylpropanamide
CID 43229181
4-chloro-N-[2-[4-(4-oxoquinazolin-3-yl)butanoylamino]ethyl]benzamide
CID 30753783
3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
N-[2-(methylamino)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide;hydrochloride
CID 119502460
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 91818526

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(4-oxoquinazolin-3-yl)hexanamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(4-oxoquinazolin-3-yl)hexanamide (CID 75490053) is N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(4-oxoquinazolin-3-yl)hexanamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(4-oxoquinazolin-3-yl)hexanamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(4-oxoquinazolin-3-yl)hexanamide is O=C(CCCCCn1cnc2ccccc2c1=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(4-oxoquinazolin-3-yl)hexanamide?
The InChIKey is ZZLKPIPTDLWTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c29-22(24-14-13-21-26-19-10-5-6-11-20(19)27-21)12-2-1-7-15-28-16-25-18-9-4-3-8-17(18)23(28)30/h3-6,8-11,16H,1-2,7,12-15H2,(H,24,29)(H,26,27).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(4-oxoquinazolin-3-yl)hexanamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(4-oxoquinazolin-3-yl)hexanamide has a molecular weight of 403.49 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(4-oxoquinazolin-3-yl)hexanamide is sourced from PubChem (CID 75490053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).