N-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide

C28H30N4O3 — CID 16982960

IUPACN-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCCc1nc2ccccc2n1CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C28H30N4O3/c1-31(19-21-11-4-3-5-12-21)27(33)20-32-24-15-8-7-14-23(24)30-26(32)17-10-18-29-28(34)22-13-6-9-16-25(22)35-2/h3-9,11-16H,10,17-20H2,1-2H3,(H,29,34)
InChIKeyOHFSHZWIHVTCAB-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.07
Rot. Bonds10

About N-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide

N-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide (PubChem CID 16982960) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is N-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
PubChem CID16982960
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC NameN-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCCc1nc2ccccc2n1CC(=O)N(C)Cc1ccccc1
InChIInChI=1S/C28H30N4O3/c1-31(19-21-11-4-3-5-12-21)27(33)20-32-24-15-8-7-14-23(24)30-26(32)17-10-18-29-28(34)22-13-6-9-16-25(22)35-2/h3-9,11-16H,10,17-20H2,1-2H3,(H,29,34)
InChIKeyOHFSHZWIHVTCAB-UHFFFAOYSA-N
XLogP4.07
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-acetamidopropyl)benzimidazol-1-yl]-N-benzyl-N-methylacetamide
CID 16980647
N-[2-[1-[2-[butyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976315
N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989409
N-[5-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 16994269
N-[2-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979045
N-benzyl-N-methyl-2-[2-[3-[(2-phenoxyacetyl)amino]propyl]benzimidazol-1-yl]acetamide
CID 16986352
N-[2-[1-[2-[di(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methoxybenzamide
CID 16976311
2-methoxy-N-[3-(1-pentylbenzimidazol-2-yl)propyl]benzamide
CID 4753688
methyl 2-[2-[2-[(2-methoxybenzoyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16976330
N-[3-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide
CID 16982855
N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-3,4,5-trimethoxybenzamide
CID 16984078
N-[3-[1-[2-[benzyl(propan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
CID 16983136

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide?
The IUPAC name of N-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide (CID 16982960) is N-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCCc1nc2ccccc2n1CC(=O)N(C)Cc1ccccc1.
What is the InChIKey of N-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide?
The InChIKey is OHFSHZWIHVTCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-31(19-21-11-4-3-5-12-21)27(33)20-32-24-15-8-7-14-23(24)30-26(32)17-10-18-29-28(34)22-13-6-9-16-25(22)35-2/h3-9,11-16H,10,17-20H2,1-2H3,(H,29,34).
What are the key properties of N-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide?
N-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide has a molecular weight of 470.57 g/mol, XLogP of 4.07, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-[benzyl(methyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methoxybenzamide is sourced from PubChem (CID 16982960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).