N-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-1H-benzimidazole-2-carboxamide

C22H17F2N3O2 — CID 23883158

IUPACN-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-1H-benzimidazole-2-carboxamide
SMILESO=C(NCC(O)(c1ccc(F)cc1)c1ccc(F)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H17F2N3O2/c23-16-9-5-14(6-10-16)22(29,15-7-11-17(24)12-8-15)13-25-21(28)20-26-18-3-1-2-4-19(18)27-20/h1-12,29H,13H2,(H,25,28)(H,26,27)
InChIKeyGVCMAZUZCLWYGS-UHFFFAOYSA-N
MW393.39 g/mol
LogP3.51
Rot. Bonds5

About N-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-1H-benzimidazole-2-carboxamide

N-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-1H-benzimidazole-2-carboxamide (PubChem CID 23883158) has the molecular formula C22H17F2N3O2 and a molecular weight of 393.39 g/mol. Its IUPAC name is N-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound NameN-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-1H-benzimidazole-2-carboxamide
PubChem CID23883158
Molecular FormulaC22H17F2N3O2
Molecular Weight393.39 g/mol
Exact Mass393.13
IUPAC NameN-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-1H-benzimidazole-2-carboxamide
SMILESO=C(NCC(O)(c1ccc(F)cc1)c1ccc(F)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C22H17F2N3O2/c23-16-9-5-14(6-10-16)22(29,15-7-11-17(24)12-8-15)13-25-21(28)20-26-18-3-1-2-4-19(18)27-20/h1-12,29H,13H2,(H,25,28)(H,26,27)
InChIKeyGVCMAZUZCLWYGS-UHFFFAOYSA-N
XLogP3.51
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-hydroxy-1H-benzimidazole-2-carboxamide
CID 21114230
1H-benzimidazole-2-carbothioic S-acid
CID 19781386
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CID 48592900
N-[2-(pyridin-3-ylamino)ethyl]-1H-benzimidazole-2-carboxamide
CID 56711500
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
6-(trifluoromethyl)-1H-benzimidazole-2-carbohydrazide
CID 172562577
N-[2-(4-methoxyphenyl)ethyl]-1H-benzimidazole-2-carboxamide
CID 584328
2-(1H-benzimidazol-2-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 2393619
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
N-[2-(3,4,5-trimethylpyrazol-1-yl)ethyl]-1H-benzimidazole-2-carboxamide
CID 77084306
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1H-benzimidazole-2-carboxamide
CID 121498927

Frequently Asked Questions

What is the IUPAC name of N-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of N-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-1H-benzimidazole-2-carboxamide (CID 23883158) is N-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for N-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for N-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-1H-benzimidazole-2-carboxamide is O=C(NCC(O)(c1ccc(F)cc1)c1ccc(F)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-1H-benzimidazole-2-carboxamide?
The InChIKey is GVCMAZUZCLWYGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O2/c23-16-9-5-14(6-10-16)22(29,15-7-11-17(24)12-8-15)13-25-21(28)20-26-18-3-1-2-4-19(18)27-20/h1-12,29H,13H2,(H,25,28)(H,26,27).
What are the key properties of N-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-1H-benzimidazole-2-carboxamide?
N-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-1H-benzimidazole-2-carboxamide has a molecular weight of 393.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-bis(4-fluorophenyl)-2-hydroxyethyl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 23883158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).