N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide

C25H26N4O2 — CID 16964332

IUPACN-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(OCCn2c(CCNC(=O)c3cccnc3)nc3ccccc32)cc1C
InChIInChI=1S/C25H26N4O2/c1-18-9-10-21(16-19(18)2)31-15-14-29-23-8-4-3-7-22(23)28-24(29)11-13-27-25(30)20-6-5-12-26-17-20/h3-10,12,16-17H,11,13-15H2,1-2H3,(H,27,30)
InChIKeyDDQWPYMJEYNACV-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.10
Rot. Bonds8

About N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide

N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide (PubChem CID 16964332) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
PubChem CID16964332
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(OCCn2c(CCNC(=O)c3cccnc3)nc3ccccc32)cc1C
InChIInChI=1S/C25H26N4O2/c1-18-9-10-21(16-19(18)2)31-15-14-29-23-8-4-3-7-22(23)28-24(29)11-13-27-25(30)20-6-5-12-26-17-20/h3-10,12,16-17H,11,13-15H2,1-2H3,(H,27,30)
InChIKeyDDQWPYMJEYNACV-UHFFFAOYSA-N
XLogP4.10
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[1-[4-(3,4-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964509
N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976607
N-[2-[1-[2-(2-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16964288
N-[3-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964463
N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,2-dimethylpropanamide
CID 16975018
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964479
N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964514
N-[3-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964490
N-[2-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975960
N-[2-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 16977064
N-[5-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991315
N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964519

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide (CID 16964332) is N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide is Cc1ccc(OCCn2c(CCNC(=O)c3cccnc3)nc3ccccc32)cc1C.
What is the InChIKey of N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is DDQWPYMJEYNACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-18-9-10-21(16-19(18)2)31-15-14-29-23-8-4-3-7-22(23)28-24(29)11-13-27-25(30)20-6-5-12-26-17-20/h3-10,12,16-17H,11,13-15H2,1-2H3,(H,27,30).
What are the key properties of N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide?
N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 16964332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).