3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]propanamide

C24H27N5O4 — CID 163079117

IUPAC3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]propanamide
SMILESCOCCn1c(C(C)NC(=O)CCC2NC(=O)c3ccccc3NC2=O)nc2ccccc21
InChIInChI=1S/C24H27N5O4/c1-15(22-26-18-9-5-6-10-20(18)29(22)13-14-33-2)25-21(30)12-11-19-24(32)27-17-8-4-3-7-16(17)23(31)28-19/h3-10,15,19H,11-14H2,1-2H3,(H,25,30)(H,27,32)(H,28,31)
InChIKeyLWMWFNSARXBCGM-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.39
Rot. Bonds8

About 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]propanamide

3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]propanamide (PubChem CID 163079117) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]propanamide
PubChem CID163079117
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]propanamide
SMILESCOCCn1c(C(C)NC(=O)CCC2NC(=O)c3ccccc3NC2=O)nc2ccccc21
InChIInChI=1S/C24H27N5O4/c1-15(22-26-18-9-5-6-10-20(18)29(22)13-14-33-2)25-21(30)12-11-19-24(32)27-17-8-4-3-7-16(17)23(31)28-19/h3-10,15,19H,11-14H2,1-2H3,(H,25,30)(H,27,32)(H,28,31)
InChIKeyLWMWFNSARXBCGM-UHFFFAOYSA-N
XLogP2.39
TPSA114.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 127254555
methyl (2R)-2-[3-[(3R)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanoylamino]propanoate
CID 51829654
3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]propanamide
CID 75356814
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-3-(4-methoxyphenyl)propanamide
CID 91821956
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanamide
CID 99992152
N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-3-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]propanamide
CID 75491390
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971833
3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]propanamide
CID 75356712
2-[(3S)-2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl]-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]acetamide
CID 127253061
N-[1-[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16968767
N-[1H-benzimidazol-2-yl(phenyl)methyl]-3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)propanamide
CID 118986176
N-[(1R)-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 125343401

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]propanamide?
The IUPAC name of 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]propanamide (CID 163079117) is 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]propanamide?
The canonical SMILES for 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]propanamide is COCCn1c(C(C)NC(=O)CCC2NC(=O)c3ccccc3NC2=O)nc2ccccc21.
What is the InChIKey of 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]propanamide?
The InChIKey is LWMWFNSARXBCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-15(22-26-18-9-5-6-10-20(18)29(22)13-14-33-2)25-21(30)12-11-19-24(32)27-17-8-4-3-7-16(17)23(31)28-19/h3-10,15,19H,11-14H2,1-2H3,(H,25,30)(H,27,32)(H,28,31).
What are the key properties of 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]propanamide?
3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 449.51 g/mol, XLogP of 2.39, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 163079117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).