3-(1H-benzimidazol-2-yl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide

C21H25N3O2 — CID 55898321

IUPAC3-(1H-benzimidazol-2-yl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide
SMILESCc1ccccc1OCCCN(C)C(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C21H25N3O2/c1-16-8-3-6-11-19(16)26-15-7-14-24(2)21(25)13-12-20-22-17-9-4-5-10-18(17)23-20/h3-6,8-11H,7,12-15H2,1-2H3,(H,22,23)
InChIKeyQBGFGKSGSQVZBR-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.73
Rot. Bonds8

About 3-(1H-benzimidazol-2-yl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide

3-(1H-benzimidazol-2-yl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide (PubChem CID 55898321) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide
PubChem CID55898321
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name3-(1H-benzimidazol-2-yl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide
SMILESCc1ccccc1OCCCN(C)C(=O)CCc1nc2ccccc2[nH]1
InChIInChI=1S/C21H25N3O2/c1-16-8-3-6-11-19(16)26-15-7-14-24(2)21(25)13-12-20-22-17-9-4-5-10-18(17)23-20/h3-6,8-11H,7,12-15H2,1-2H3,(H,22,23)
InChIKeyQBGFGKSGSQVZBR-UHFFFAOYSA-N
XLogP3.73
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(1H-benzimidazol-2-yl)propanoyl-methylamino]propanoic acid
CID 60988746
3-(2-aminophenyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide;hydrochloride
CID 120609501
3-(1H-benzimidazol-2-yl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-N-methylpropanamide
CID 134334487
3-(1H-benzimidazol-2-yl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylpropanamide
CID 42114788
3-(1H-benzimidazol-2-yl)-N-[(6-methoxynaphthalen-2-yl)methyl]-N-methylpropanamide
CID 17470683
N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739
N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 60675961
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(4-oxo-3H-quinazolin-2-yl)propanamide
CID 137288392
3-(1H-benzimidazol-2-yl)-N-(3-hydroxypropyl)-N-propan-2-ylpropanamide
CID 61039048
3-(1H-benzimidazol-2-yl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylpropanamide
CID 37207871
3-(1H-benzimidazol-2-yl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]propanamide
CID 38545493
N-(1H-benzimidazol-2-ylmethyl)-2-methoxy-N-methylacetamide
CID 47159982

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide (CID 55898321) is 3-(1H-benzimidazol-2-yl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide is Cc1ccccc1OCCCN(C)C(=O)CCc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide?
The InChIKey is QBGFGKSGSQVZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16-8-3-6-11-19(16)26-15-7-14-24(2)21(25)13-12-20-22-17-9-4-5-10-18(17)23-20/h3-6,8-11H,7,12-15H2,1-2H3,(H,22,23).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide has a molecular weight of 351.45 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-methyl-N-[3-(2-methylphenoxy)propyl]propanamide is sourced from PubChem (CID 55898321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).