N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide

C28H38N4O2 — CID 16982475

IUPACN-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCCc1nc2ccccc2n1CC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C28H38N4O2/c1-20(2)17-31(18-21(3)4)27(33)19-32-25-14-9-8-13-24(25)30-26(32)15-10-16-29-28(34)23-12-7-6-11-22(23)5/h6-9,11-14,20-21H,10,15-19H2,1-5H3,(H,29,34)
InChIKeyZVWPCDWPUHOTPL-UHFFFAOYSA-N
MW462.64 g/mol
LogP4.85
Rot. Bonds11

About N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide

N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide (PubChem CID 16982475) has the molecular formula C28H38N4O2 and a molecular weight of 462.64 g/mol. Its IUPAC name is N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
PubChem CID16982475
Molecular FormulaC28H38N4O2
Molecular Weight462.64 g/mol
Exact Mass462.30
IUPAC NameN-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCCCc1nc2ccccc2n1CC(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C28H38N4O2/c1-20(2)17-31(18-21(3)4)27(33)19-32-25-14-9-8-13-24(25)30-26(32)15-10-16-29-28(34)23-12-7-6-11-22(23)5/h6-9,11-14,20-21H,10,15-19H2,1-5H3,(H,29,34)
InChIKeyZVWPCDWPUHOTPL-UHFFFAOYSA-N
XLogP4.85
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[2-(diethylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide
CID 16982471
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-(2-methylphenyl)acetamide
CID 16979200
2-[2-[3-[(2-methoxyacetyl)amino]propyl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 16981382
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976638
N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]prop-2-enamide
CID 16986831
propan-2-yl 2-[2-[3-[(2-methylbenzoyl)amino]propyl]benzimidazol-1-yl]acetate
CID 16982493
N-[3-(1-ethylbenzimidazol-2-yl)propyl]-2-methylbenzamide
CID 16982340
N-[2-[1-[2-[di(butan-2-yl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16976021
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974826
2-methyl-N-[5-[1-[2-(N-methylanilino)-2-oxoethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989568
N-[5-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988106
N-[2-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]ethyl]-2-phenylacetamide
CID 16979038

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide?
The IUPAC name of N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide (CID 16982475) is N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCCCc1nc2ccccc2n1CC(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide?
The InChIKey is ZVWPCDWPUHOTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O2/c1-20(2)17-31(18-21(3)4)27(33)19-32-25-14-9-8-13-24(25)30-26(32)15-10-16-29-28(34)23-12-7-6-11-22(23)5/h6-9,11-14,20-21H,10,15-19H2,1-5H3,(H,29,34).
What are the key properties of N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide?
N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide has a molecular weight of 462.64 g/mol, XLogP of 4.85, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[2-[bis(2-methylpropyl)amino]-2-oxoethyl]benzimidazol-2-yl]propyl]-2-methylbenzamide is sourced from PubChem (CID 16982475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).