N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

C24H29N5O3 — CID 46692780

IUPACN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCCN(CC)CCn1c(NC(=O)CCN2C(=O)COc3ccccc32)nc2ccccc21
InChIInChI=1S/C24H29N5O3/c1-3-27(4-2)15-16-29-19-10-6-5-9-18(19)25-24(29)26-22(30)13-14-28-20-11-7-8-12-21(20)32-17-23(28)31/h5-12H,3-4,13-17H2,1-2H3,(H,25,26,30)
InChIKeyNXLFHRVYWSTROQ-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.13
Rot. Bonds9

About N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (PubChem CID 46692780) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
PubChem CID46692780
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
SMILESCCN(CC)CCn1c(NC(=O)CCN2C(=O)COc3ccccc32)nc2ccccc21
InChIInChI=1S/C24H29N5O3/c1-3-27(4-2)15-16-29-19-10-6-5-9-18(19)25-24(29)26-22(30)13-14-28-20-11-7-8-12-21(20)32-17-23(28)31/h5-12H,3-4,13-17H2,1-2H3,(H,25,26,30)
InChIKeyNXLFHRVYWSTROQ-UHFFFAOYSA-N
XLogP3.13
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 40716730
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(2,4-dioxoquinazolin-1-yl)propanamide
CID 52549619
N-[4-(benzimidazol-1-yl)phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 24513496
N-(2-methylphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191658
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 46692768
3-(3-oxo-1,4-benzoxazin-4-yl)-N-(2,4,6-trimethyl-3-pyridinyl)propanamide
CID 78837203
2-[2-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19482801
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19475551
N'-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoyl]quinoline-2-carbohydrazide
CID 35069219
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
CID 55495982
N-(4-ethoxyphenyl)-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 9191726

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide (CID 46692780) is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is CCN(CC)CCn1c(NC(=O)CCN2C(=O)COc3ccccc32)nc2ccccc21.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
The InChIKey is NXLFHRVYWSTROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-3-27(4-2)15-16-29-19-10-6-5-9-18(19)25-24(29)26-22(30)13-14-28-20-11-7-8-12-21(20)32-17-23(28)31/h5-12H,3-4,13-17H2,1-2H3,(H,25,26,30).
What are the key properties of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide?
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide has a molecular weight of 435.53 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide is sourced from PubChem (CID 46692780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).