1-[1-(dimethylamino)propan-2-yl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide

C26H36N4O2 — CID 22181305

IUPAC1-[1-(dimethylamino)propan-2-yl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide
SMILESCCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2C(C)CN(C)C)cc1
InChIInChI=1S/C26H36N4O2/c1-7-29(8-2)26(31)21-12-15-24-23(17-21)27-25(30(24)19(4)18-28(5)6)16-20-10-13-22(14-11-20)32-9-3/h10-15,17,19H,7-9,16,18H2,1-6H3
InChIKeyDQYRITKNFIISGS-UHFFFAOYSA-N
MW436.60 g/mol
LogP4.63
Rot. Bonds10

About 1-[1-(dimethylamino)propan-2-yl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide

1-[1-(dimethylamino)propan-2-yl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide (PubChem CID 22181305) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propan-2-yl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-[1-(dimethylamino)propan-2-yl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide
PubChem CID22181305
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name1-[1-(dimethylamino)propan-2-yl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide
SMILESCCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2C(C)CN(C)C)cc1
InChIInChI=1S/C26H36N4O2/c1-7-29(8-2)26(31)21-12-15-24-23(17-21)27-25(30(24)19(4)18-28(5)6)16-20-10-13-22(14-11-20)32-9-3/h10-15,17,19H,7-9,16,18H2,1-6H3
InChIKeyDQYRITKNFIISGS-UHFFFAOYSA-N
XLogP4.63
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide?
The IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide (CID 22181305) is 1-[1-(dimethylamino)propan-2-yl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide.
What is the SMILES notation for 1-[1-(dimethylamino)propan-2-yl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide?
The canonical SMILES for 1-[1-(dimethylamino)propan-2-yl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide is CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2C(C)CN(C)C)cc1.
What is the InChIKey of 1-[1-(dimethylamino)propan-2-yl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide?
The InChIKey is DQYRITKNFIISGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-7-29(8-2)26(31)21-12-15-24-23(17-21)27-25(30(24)19(4)18-28(5)6)16-20-10-13-22(14-11-20)32-9-3/h10-15,17,19H,7-9,16,18H2,1-6H3.
What are the key properties of 1-[1-(dimethylamino)propan-2-yl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide?
1-[1-(dimethylamino)propan-2-yl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide has a molecular weight of 436.60 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propan-2-yl]-2-[(4-ethoxyphenyl)methyl]-N,N-diethylbenzimidazole-5-carboxamide is sourced from PubChem (CID 22181305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).