2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide

C18H18FN3O — CID 110765535

IUPAC2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCc3ccccc3F)cc2[nH]1
InChIInChI=1S/C18H18FN3O/c1-2-17-21-15-8-7-13(11-16(15)22-17)18(23)20-10-9-12-5-3-4-6-14(12)19/h3-8,11H,2,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyCHVXNQQTKZTXMU-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.24
Rot. Bonds5

About 2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide

2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide (PubChem CID 110765535) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
PubChem CID110765535
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC Name2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
SMILESCCc1nc2ccc(C(=O)NCCc3ccccc3F)cc2[nH]1
InChIInChI=1S/C18H18FN3O/c1-2-17-21-15-8-7-13(11-16(15)22-17)18(23)20-10-9-12-5-3-4-6-14(12)19/h3-8,11H,2,9-10H2,1H3,(H,20,23)(H,21,22)
InChIKeyCHVXNQQTKZTXMU-UHFFFAOYSA-N
XLogP3.24
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 110765503
2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide
CID 110765504
2-(2-ethyl-3H-benzimidazol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110772738
2-ethyl-N-(pyridin-4-ylmethyl)-3H-benzimidazole-5-carboxamide
CID 110765531
2-ethyl-N-[(4-methylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110765518
2-chloro-N-[2-(2-fluorophenyl)ethyl]quinoline-6-carboxamide
CID 55731090
2-ethyl-N-(2-morpholin-4-ylethyl)-3H-benzimidazole-5-carboxamide
CID 110765508
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2-fluorophenyl)acetamide
CID 5297042
3-N,3-N-diethyl-1-N-[2-(2-fluorophenyl)ethyl]benzene-1,3-dicarboxamide
CID 109055375
N-[[2-[(2-fluorophenyl)methyl]-3H-benzimidazol-5-yl]methyl]-4-hydroxybenzamide
CID 11349348
N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692472
N-[2-(1H-benzimidazol-2-yl)ethyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 21008897

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide (CID 110765535) is 2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide is CCc1nc2ccc(C(=O)NCCc3ccccc3F)cc2[nH]1.
What is the InChIKey of 2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is CHVXNQQTKZTXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c1-2-17-21-15-8-7-13(11-16(15)22-17)18(23)20-10-9-12-5-3-4-6-14(12)19/h3-8,11H,2,9-10H2,1H3,(H,20,23)(H,21,22).
What are the key properties of 2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide?
2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(2-fluorophenyl)ethyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110765535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).