N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide

C22H28N4O3 — CID 59826293

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide
SMILESCOCCN(CCOC)Cc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H28N4O3/c1-28-13-11-26(12-14-29-2)16-17-7-9-18(10-8-17)22(27)23-15-21-24-19-5-3-4-6-20(19)25-21/h3-10H,11-16H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyVDUFAUQVDJVWFK-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.59
Rot. Bonds11

About N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide

N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide (PubChem CID 59826293) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide
PubChem CID59826293
Molecular FormulaC22H28N4O3
Molecular Weight396.49 g/mol
Exact Mass396.22
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide
SMILESCOCCN(CCOC)Cc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H28N4O3/c1-28-13-11-26(12-14-29-2)16-17-7-9-18(10-8-17)22(27)23-15-21-24-19-5-3-4-6-20(19)25-21/h3-10H,11-16H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyVDUFAUQVDJVWFK-UHFFFAOYSA-N
XLogP2.59
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide 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

N-(1H-benzimidazol-2-ylmethyl)-4-(phenylsulfanylmethyl)benzamide
CID 112791088
N-(1H-benzimidazol-2-ylmethyl)-4-[(pyridin-2-ylmethylamino)methyl]benzamide
CID 59825992
N-(1H-benzimidazol-2-ylmethyl)-3,5-dimethoxy-4-methylbenzamide
CID 51143940
3-[4-(1H-benzimidazol-2-ylmethylcarbamoyl)anilino]propanoic acid
CID 70065972
N-(1H-benzimidazol-2-ylmethyl)-2,3-diethylquinoxaline-6-carboxamide
CID 21008774
N-(1H-benzimidazol-2-ylmethyl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 51143916
N-(1H-benzimidazol-2-ylmethyl)-4-(4-methoxypiperidin-1-yl)benzamide
CID 91813649
4-[2-(1H-benzimidazol-2-ylmethylamino)ethyl]-N-benzylbenzamide
CID 129067460
N-(1H-benzimidazol-2-ylmethyl)-3-fluoro-4-methylbenzamide
CID 18105208
N-(1H-benzimidazol-2-ylmethyl)-3,5-dibromobenzamide
CID 103908650
N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-4-propan-2-yloxybenzamide
CID 51143987
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide (CID 59826293) is N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide is COCCN(CCOC)Cc1ccc(C(=O)NCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide?
The InChIKey is VDUFAUQVDJVWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-28-13-11-26(12-14-29-2)16-17-7-9-18(10-8-17)22(27)23-15-21-24-19-5-3-4-6-20(19)25-21/h3-10H,11-16H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide?
N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide has a molecular weight of 396.49 g/mol, XLogP of 2.59, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-[[bis(2-methoxyethyl)amino]methyl]benzamide is sourced from PubChem (CID 59826293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).