N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide

C18H19N3O2 — CID 2066664

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O2/c1-2-23-16-10-6-3-7-13(16)18(22)19-12-11-17-20-14-8-4-5-9-15(14)21-17/h3-10H,2,11-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyKWAYGYWBJFXGSM-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.93
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide (PubChem CID 2066664) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide
PubChem CID2066664
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide
SMILESCCOc1ccccc1C(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C18H19N3O2/c1-2-23-16-10-6-3-7-13(16)18(22)19-12-11-17-20-14-8-4-5-9-15(14)21-17/h3-10H,2,11-12H2,1H3,(H,19,22)(H,20,21)
InChIKeyKWAYGYWBJFXGSM-UHFFFAOYSA-N
XLogP2.93
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 37218639
methyl 2-[2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoethoxy]benzoate
CID 21008986
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(dimethylamino)pyridine-3-carboxamide
CID 60550987
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-ethylphenoxy)acetamide
CID 19175653
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
N-[2-(1H-benzimidazol-2-yl)ethyl]quinoline-4-carboxamide
CID 59018404
ethyl 2-[2-(1H-benzimidazol-2-yl)ethylamino]-2-oxoacetate
CID 110461546
N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 42919415
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
CID 4917285
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-propan-2-ylphenoxy)acetamide
CID 707834
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(prop-2-enylamino)benzamide
CID 50977313

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide (CID 2066664) is N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide is CCOc1ccccc1C(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide?
The InChIKey is KWAYGYWBJFXGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-23-16-10-6-3-7-13(16)18(22)19-12-11-17-20-14-8-4-5-9-15(14)21-17/h3-10H,2,11-12H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide has a molecular weight of 309.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxybenzamide is sourced from PubChem (CID 2066664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).