N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide

C25H25N3O2 — CID 50765558

IUPACN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide
SMILESCCn1c(CCc2ccc(NC(=O)c3cccc(OC)c3)cc2)nc2ccccc21
InChIInChI=1S/C25H25N3O2/c1-3-28-23-10-5-4-9-22(23)27-24(28)16-13-18-11-14-20(15-12-18)26-25(29)19-7-6-8-21(17-19)30-2/h4-12,14-15,17H,3,13,16H2,1-2H3,(H,26,29)
InChIKeyWKABENQKSCGKJW-UHFFFAOYSA-N
MW399.49 g/mol
LogP5.10
Rot. Bonds7

About N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide

N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide (PubChem CID 50765558) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide
PubChem CID50765558
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC NameN-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide
SMILESCCn1c(CCc2ccc(NC(=O)c3cccc(OC)c3)cc2)nc2ccccc21
InChIInChI=1S/C25H25N3O2/c1-3-28-23-10-5-4-9-22(23)27-24(28)16-13-18-11-14-20(15-12-18)26-25(29)19-7-6-8-21(17-19)30-2/h4-12,14-15,17H,3,13,16H2,1-2H3,(H,26,29)
InChIKeyWKABENQKSCGKJW-UHFFFAOYSA-N
XLogP5.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.49
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chloro-2-methoxyphenyl)-3-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]urea
CID 46382310
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]cyclopropanecarboxamide
CID 50765566
2,4-dimethoxy-N-[4-[2-(1-methylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46290657
3-fluoro-4-methyl-N-[4-[2-(1-propylbenzimidazol-2-yl)ethyl]phenyl]benzamide
CID 46290775
3-methoxy-N-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007935
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 16976665
N-[3-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]propyl]-3-methoxybenzamide
CID 16983745
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 17477086
3-methoxy-N-[[1-(2-methylbutyl)benzimidazol-2-yl]methyl]benzamide
CID 17007896
N-[3-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-2-fluorobenzamide
CID 46328403
3-methoxy-N-[(1-octylbenzimidazol-2-yl)methyl]benzamide
CID 17007901
N-[5-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-3-methoxybenzamide
CID 16990794

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide?
The IUPAC name of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide (CID 50765558) is N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide?
The canonical SMILES for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide is CCn1c(CCc2ccc(NC(=O)c3cccc(OC)c3)cc2)nc2ccccc21.
What is the InChIKey of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide?
The InChIKey is WKABENQKSCGKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-3-28-23-10-5-4-9-22(23)27-24(28)16-13-18-11-14-20(15-12-18)26-25(29)19-7-6-8-21(17-19)30-2/h4-12,14-15,17H,3,13,16H2,1-2H3,(H,26,29).
What are the key properties of N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide?
N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide has a molecular weight of 399.49 g/mol, XLogP of 5.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-ethylbenzimidazol-2-yl)ethyl]phenyl]-3-methoxybenzamide is sourced from PubChem (CID 50765558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).