N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

C29H30N6O2 — CID 55365598

IUPACN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCCN(CC)CCn1c(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)nc2ccccc21
InChIInChI=1S/C29H30N6O2/c1-4-33(5-2)18-19-34-26-13-9-8-12-25(26)31-29(34)32-27(36)21-14-16-22(17-15-21)35-20(3)30-24-11-7-6-10-23(24)28(35)37/h6-17H,4-5,18-19H2,1-3H3,(H,31,32,36)
InChIKeyUUSFGDAZKUBNRA-UHFFFAOYSA-N
MW494.60 g/mol
LogP4.64
Rot. Bonds8

About N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (PubChem CID 55365598) has the molecular formula C29H30N6O2 and a molecular weight of 494.60 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
PubChem CID55365598
Molecular FormulaC29H30N6O2
Molecular Weight494.60 g/mol
Exact Mass494.24
IUPAC NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
SMILESCCN(CC)CCn1c(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)nc2ccccc21
InChIInChI=1S/C29H30N6O2/c1-4-33(5-2)18-19-34-26-13-9-8-12-25(26)31-29(34)32-27(36)21-14-16-22(17-15-21)35-20(3)30-24-11-7-6-10-23(24)28(35)37/h6-17H,4-5,18-19H2,1-3H3,(H,31,32,36)
InChIKeyUUSFGDAZKUBNRA-UHFFFAOYSA-N
XLogP4.64
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethylpyrazole-4-carboxamide
CID 19280963
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112807743
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19475551
2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502887
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide
CID 55652120
4-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]benzamide
CID 7294843
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39776818
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280672
N-benzyl-N-ethyl-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 39776780
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(methylsulfonylmethyl)benzamide
CID 46823553
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-ethylsulfanylpyridine-4-carboxamide
CID 60567418

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide (CID 55365598) is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is CCN(CC)CCn1c(NC(=O)c2ccc(-n3c(C)nc4ccccc4c3=O)cc2)nc2ccccc21.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
The InChIKey is UUSFGDAZKUBNRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2/c1-4-33(5-2)18-19-34-26-13-9-8-12-25(26)31-29(34)32-27(36)21-14-16-22(17-15-21)35-20(3)30-24-11-7-6-10-23(24)28(35)37/h6-17H,4-5,18-19H2,1-3H3,(H,31,32,36).
What are the key properties of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide?
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide has a molecular weight of 494.60 g/mol, XLogP of 4.64, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide is sourced from PubChem (CID 55365598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).