2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-1H-benzimidazole-4-carboxamide

C24H21F2N3O4 — CID 58278839

IUPAC2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1cccc(OC[C@@H](O)CO)c1)c1cccc2[nH]c(-c3ccccc3C(F)F)nc12
InChIInChI=1S/C24H21F2N3O4/c25-22(26)17-7-1-2-8-18(17)23-28-20-10-4-9-19(21(20)29-23)24(32)27-14-5-3-6-16(11-14)33-13-15(31)12-30/h1-11,15,22,30-31H,12-13H2,(H,27,32)(H,28,29)/t15-/m0/s1
InChIKeyQQWOKHRNCYHHLT-HNNXBMFYSA-N
MW453.45 g/mol
LogP4.15
Rot. Bonds8

About 2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-1H-benzimidazole-4-carboxamide

2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-1H-benzimidazole-4-carboxamide (PubChem CID 58278839) has the molecular formula C24H21F2N3O4 and a molecular weight of 453.45 g/mol. Its IUPAC name is 2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-1H-benzimidazole-4-carboxamide
PubChem CID58278839
Molecular FormulaC24H21F2N3O4
Molecular Weight453.45 g/mol
Exact Mass453.15
IUPAC Name2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-1H-benzimidazole-4-carboxamide
SMILESO=C(Nc1cccc(OC[C@@H](O)CO)c1)c1cccc2[nH]c(-c3ccccc3C(F)F)nc12
InChIInChI=1S/C24H21F2N3O4/c25-22(26)17-7-1-2-8-18(17)23-28-20-10-4-9-19(21(20)29-23)24(32)27-14-5-3-6-16(11-14)33-13-15(31)12-30/h1-11,15,22,30-31H,12-13H2,(H,27,32)(H,28,29)/t15-/m0/s1
InChIKeyQQWOKHRNCYHHLT-HNNXBMFYSA-N
XLogP4.15
TPSA107.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 54.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-6-fluoro-1H-benzimidazole-4-carboxamide
CID 121367006
N-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
CID 58279096
N-[3-(2,3-dihydroxypropoxy)phenyl]-2-pyridin-4-yl-1H-benzimidazole-4-carboxamide
CID 76739470
2-[4-chloro-2-(trifluoromethyl)phenyl]-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279101
2-[2-(difluoromethyl)-4-(2,3-dihydroxypropoxy)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58278956
2-[2-(difluoromethyl)-4-fluorophenyl]-N-[3-[(2R)-2,3-dihydroxypropoxy]phenyl]-3H-imidazo[4,5-c]pyridin-5-ium-7-carboxamide
CID 123252745
2-(3-chlorophenyl)-N-[3-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide
CID 76739472
2-[2-(difluoromethyl)-4-fluorophenyl]-N-[3-(3-hydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide
CID 143922361
2-[4-(2,3-dihydroxypropoxy)-2-(trifluoromethyl)phenyl]-N-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 58279059
2-[4-chloro-2-(trifluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-3H-imidazo[4,5-c]pyridine-7-carboxamide
CID 44600636
N-[2-(2,3-dihydroxypropoxy)phenyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279141
2-[4-chloro-2-(trifluoromethyl)phenyl]-N-[2-(2,3-dihydroxypropoxy)phenyl]-1H-benzimidazole-4-carboxamide
CID 58279310

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-1H-benzimidazole-4-carboxamide?
The IUPAC name of 2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-1H-benzimidazole-4-carboxamide (CID 58278839) is 2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-1H-benzimidazole-4-carboxamide is O=C(Nc1cccc(OC[C@@H](O)CO)c1)c1cccc2[nH]c(-c3ccccc3C(F)F)nc12.
What is the InChIKey of 2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-1H-benzimidazole-4-carboxamide?
The InChIKey is QQWOKHRNCYHHLT-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H21F2N3O4/c25-22(26)17-7-1-2-8-18(17)23-28-20-10-4-9-19(21(20)29-23)24(32)27-14-5-3-6-16(11-14)33-13-15(31)12-30/h1-11,15,22,30-31H,12-13H2,(H,27,32)(H,28,29)/t15-/m0/s1.
What are the key properties of 2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-1H-benzimidazole-4-carboxamide?
2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-1H-benzimidazole-4-carboxamide has a molecular weight of 453.45 g/mol, XLogP of 4.15, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethyl)phenyl]-N-[3-[(2S)-2,3-dihydroxypropoxy]phenyl]-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 58278839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).