N-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide

C20H17N3O2 — CID 24505737

IUPACN-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide
SMILESCCOc1cc2ccccc2cc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C20H17N3O2/c1-2-25-18-12-14-8-4-3-7-13(14)11-15(18)19(24)23-20-21-16-9-5-6-10-17(16)22-20/h3-12H,2H2,1H3,(H2,21,22,23,24)
InChIKeyMNZDIKCFHJXHRI-UHFFFAOYSA-N
MW331.38 g/mol
LogP4.37
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide

N-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide (PubChem CID 24505737) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide
PubChem CID24505737
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide
SMILESCCOc1cc2ccccc2cc1C(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C20H17N3O2/c1-2-25-18-12-14-8-4-3-7-13(14)11-15(18)19(24)23-20-21-16-9-5-6-10-17(16)22-20/h3-12H,2H2,1H3,(H2,21,22,23,24)
InChIKeyMNZDIKCFHJXHRI-UHFFFAOYSA-N
XLogP4.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-benzimidazol-2-yl)-2,4-dimethoxybenzamide
CID 4695097
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2-amino-N-(1H-benzimidazol-2-yl)-4-methoxybenzamide
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N-(1H-benzimidazol-2-yl)-2-(2-bromo-4,5-diethoxyphenyl)acetamide
CID 27649615
N-(1H-benzimidazol-2-yl)-3-(2-ethoxyphenyl)propanamide
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N-(1H-benzimidazol-2-yl)-3,4-dipropoxybenzamide
CID 18207711
N-(1H-benzimidazol-2-yl)-2-fluorobenzamide
CID 2166675
N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide
CID 78987804
N-(1H-benzimidazol-2-yl)-2,5-dimethylbenzamide
CID 2082902
methyl 2-[(3-ethoxynaphthalene-2-carbonyl)amino]benzoate
CID 18093375
N-(1H-benzimidazol-2-yl)-2-chloro-4-methylbenzamide
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CID 51229009

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide (CID 24505737) is N-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide is CCOc1cc2ccccc2cc1C(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide?
The InChIKey is MNZDIKCFHJXHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-2-25-18-12-14-8-4-3-7-13(14)11-15(18)19(24)23-20-21-16-9-5-6-10-17(16)22-20/h3-12H,2H2,1H3,(H2,21,22,23,24).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide?
N-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-ethoxynaphthalene-2-carboxamide is sourced from PubChem (CID 24505737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).