2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]propanamide

C21H24N4O — CID 45491338

IUPAC2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1
InChIInChI=1S/C21H24N4O/c1-15(2)21(26)22-16-7-5-8-17(13-16)24-11-6-12-25-19-10-4-3-9-18(19)23-20(25)14-24/h3-5,7-10,13,15H,6,11-12,14H2,1-2H3,(H,22,26)
InChIKeyHBYUVOXWFXDVTB-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.04
Rot. Bonds3

About 2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]propanamide

2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]propanamide (PubChem CID 45491338) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]propanamide
PubChem CID45491338
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1
InChIInChI=1S/C21H24N4O/c1-15(2)21(26)22-16-7-5-8-17(13-16)24-11-6-12-25-19-10-4-3-9-18(19)23-20(25)14-24/h3-5,7-10,13,15H,6,11-12,14H2,1-2H3,(H,22,26)
InChIKeyHBYUVOXWFXDVTB-UHFFFAOYSA-N
XLogP4.04
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]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

1-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-3-phenylurea
CID 46268832
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
N-[3-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)phenyl]-2-methoxybenzamide
CID 46268824
N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 29133413
N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 29131410
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-2-methylbenzamide
CID 50749480
N-[4-(8-chloro-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methoxyphenyl]-2-methylpropanamide
CID 50749611
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
N-[4-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-ylsulfonyl)phenyl]acetamide
CID 155900012
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-4-fluorobenzamide
CID 46268862
N-[5-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]-3-phenylpropanamide
CID 50749431

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]propanamide (CID 45491338) is 2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]propanamide is CC(C)C(=O)Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1.
What is the InChIKey of 2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]propanamide?
The InChIKey is HBYUVOXWFXDVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-15(2)21(26)22-16-7-5-8-17(13-16)24-11-6-12-25-19-10-4-3-9-18(19)23-20(25)14-24/h3-5,7-10,13,15H,6,11-12,14H2,1-2H3,(H,22,26).
What are the key properties of 2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]propanamide?
2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]propanamide has a molecular weight of 348.45 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]benzimidazol-2-yl)phenyl]propanamide is sourced from PubChem (CID 45491338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).