N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide

C26H23N5O2 — CID 118986181

IUPACN-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)NC(c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C26H23N5O2/c32-23(15-8-16-31-17-27-20-12-5-4-11-19(20)26(31)33)30-24(18-9-2-1-3-10-18)25-28-21-13-6-7-14-22(21)29-25/h1-7,9-14,17,24H,8,15-16H2,(H,28,29)(H,30,32)
InChIKeyAIRCRLRXNCTRSM-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.96
Rot. Bonds7

About N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide

N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide (PubChem CID 118986181) has the molecular formula C26H23N5O2 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide.

Molecular Properties

Compound NameN-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
PubChem CID118986181
Molecular FormulaC26H23N5O2
Molecular Weight437.50 g/mol
Exact Mass437.19
IUPAC NameN-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
SMILESO=C(CCCn1cnc2ccccc2c1=O)NC(c1ccccc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C26H23N5O2/c32-23(15-8-16-31-17-27-20-12-5-4-11-19(20)26(31)33)30-24(18-9-2-1-3-10-18)25-28-21-13-6-7-14-22(21)29-25/h1-7,9-14,17,24H,8,15-16H2,(H,28,29)(H,30,32)
InChIKeyAIRCRLRXNCTRSM-UHFFFAOYSA-N
XLogP3.96
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)-phenylmethyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 46414369
N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(2,5-dimethylpyrrol-1-yl)butanamide
CID 118986194
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-4-pyrazol-1-ylbutanamide
CID 110204372
N-[2-(1H-benzimidazol-2-yl)ethyl]-6-(4-oxoquinazolin-3-yl)hexanamide
CID 75490053
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 18116306
N-[[4-(difluoromethoxy)phenyl]-phenylmethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 16573183
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 110205209
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 51951513
N-nonyl-4-(4-oxoquinazolin-3-yl)butanamide
CID 43052254
N-[(S)-1H-benzimidazol-2-yl(phenyl)methyl]-3-(4-methoxyphenyl)propanamide
CID 110204562
N-(2,5-dichlorophenyl)-4-(4-oxoquinazolin-3-yl)butanamide
CID 46666719
N-[1-(3-hydroxycyclobutyl)propyl]-4-(4-oxoquinazolin-3-yl)butanamide
CID 91790449

Frequently Asked Questions

What is the IUPAC name of N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The IUPAC name of N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide (CID 118986181) is N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide.
What is the SMILES notation for N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The canonical SMILES for N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide is O=C(CCCn1cnc2ccccc2c1=O)NC(c1ccccc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide?
The InChIKey is AIRCRLRXNCTRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O2/c32-23(15-8-16-31-17-27-20-12-5-4-11-19(20)26(31)33)30-24(18-9-2-1-3-10-18)25-28-21-13-6-7-14-22(21)29-25/h1-7,9-14,17,24H,8,15-16H2,(H,28,29)(H,30,32).
What are the key properties of N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide?
N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide has a molecular weight of 437.50 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1H-benzimidazol-2-yl(phenyl)methyl]-4-(4-oxoquinazolin-3-yl)butanamide is sourced from PubChem (CID 118986181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).