N,N-diethyl-2-[(4-hydroxyphenyl)methyl]-1-(3-methylbutyl)benzimidazole-5-carboxamide

C24H31N3O2 — CID 44561150

IUPACN,N-diethyl-2-[(4-hydroxyphenyl)methyl]-1-(3-methylbutyl)benzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(O)cc1)n2CCC(C)C
InChIInChI=1S/C24H31N3O2/c1-5-26(6-2)24(29)19-9-12-22-21(16-19)25-23(27(22)14-13-17(3)4)15-18-7-10-20(28)11-8-18/h7-12,16-17,28H,5-6,13-15H2,1-4H3
InChIKeyKWGUVZUNTGXISE-UHFFFAOYSA-N
MW393.53 g/mol
LogP4.86
Rot. Bonds8

About N,N-diethyl-2-[(4-hydroxyphenyl)methyl]-1-(3-methylbutyl)benzimidazole-5-carboxamide

N,N-diethyl-2-[(4-hydroxyphenyl)methyl]-1-(3-methylbutyl)benzimidazole-5-carboxamide (PubChem CID 44561150) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N,N-diethyl-2-[(4-hydroxyphenyl)methyl]-1-(3-methylbutyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(4-hydroxyphenyl)methyl]-1-(3-methylbutyl)benzimidazole-5-carboxamide
PubChem CID44561150
Molecular FormulaC24H31N3O2
Molecular Weight393.53 g/mol
Exact Mass393.24
IUPAC NameN,N-diethyl-2-[(4-hydroxyphenyl)methyl]-1-(3-methylbutyl)benzimidazole-5-carboxamide
SMILESCCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(O)cc1)n2CCC(C)C
InChIInChI=1S/C24H31N3O2/c1-5-26(6-2)24(29)19-9-12-22-21(16-19)25-23(27(22)14-13-17(3)4)15-18-7-10-20(28)11-8-18/h7-12,16-17,28H,5-6,13-15H2,1-4H3
InChIKeyKWGUVZUNTGXISE-UHFFFAOYSA-N
XLogP4.86
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(4-hydroxyphenyl)methyl]-1-(3-methylbutyl)benzimidazole-5-carboxamide?
The IUPAC name of N,N-diethyl-2-[(4-hydroxyphenyl)methyl]-1-(3-methylbutyl)benzimidazole-5-carboxamide (CID 44561150) is N,N-diethyl-2-[(4-hydroxyphenyl)methyl]-1-(3-methylbutyl)benzimidazole-5-carboxamide.
What is the SMILES notation for N,N-diethyl-2-[(4-hydroxyphenyl)methyl]-1-(3-methylbutyl)benzimidazole-5-carboxamide?
The canonical SMILES for N,N-diethyl-2-[(4-hydroxyphenyl)methyl]-1-(3-methylbutyl)benzimidazole-5-carboxamide is CCN(CC)C(=O)c1ccc2c(c1)nc(Cc1ccc(O)cc1)n2CCC(C)C.
What is the InChIKey of N,N-diethyl-2-[(4-hydroxyphenyl)methyl]-1-(3-methylbutyl)benzimidazole-5-carboxamide?
The InChIKey is KWGUVZUNTGXISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-5-26(6-2)24(29)19-9-12-22-21(16-19)25-23(27(22)14-13-17(3)4)15-18-7-10-20(28)11-8-18/h7-12,16-17,28H,5-6,13-15H2,1-4H3.
What are the key properties of N,N-diethyl-2-[(4-hydroxyphenyl)methyl]-1-(3-methylbutyl)benzimidazole-5-carboxamide?
N,N-diethyl-2-[(4-hydroxyphenyl)methyl]-1-(3-methylbutyl)benzimidazole-5-carboxamide has a molecular weight of 393.53 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(4-hydroxyphenyl)methyl]-1-(3-methylbutyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 44561150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).