N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

C14H15F2N3O2 — CID 164629350

IUPACN-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESO=C(NC[C@H]1CCCC1(F)F)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H15F2N3O2/c15-14(16)5-1-2-9(14)7-17-12(20)8-3-4-10-11(6-8)19-13(21)18-10/h3-4,6,9H,1-2,5,7H2,(H,17,20)(H2,18,19,21)/t9-/m1/s1
InChIKeyVGULJGGXKXFDER-SECBINFHSA-N
MW295.29 g/mol
LogP2.02
Rot. Bonds3

About N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide

N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (PubChem CID 164629350) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
PubChem CID164629350
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC NameN-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
SMILESO=C(NC[C@H]1CCCC1(F)F)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H15F2N3O2/c15-14(16)5-1-2-9(14)7-17-12(20)8-3-4-10-11(6-8)19-13(21)18-10/h3-4,6,9H,1-2,5,7H2,(H,17,20)(H2,18,19,21)/t9-/m1/s1
InChIKeyVGULJGGXKXFDER-SECBINFHSA-N
XLogP2.02
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[(1R)-2,2-difluorocyclopentyl]methyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 164631263
N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692285
N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692318
N-[[(3R)-1-(furan-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 95202229
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 166185552
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 25350812
N,N-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 22745221
N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692342
N-[(2,2-dimethylcyclopentyl)methyl]-9,10-dihydrophenanthrene-2-carboxamide
CID 21361588
2-amino-1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)cyclopentane-1-carboxamide
CID 82766050
N-[[(5R,9R)-2,4-dioxo-1,3-diazaspiro[4.4]nonan-9-yl]methyl]-1-benzothiophene-5-carboxamide
CID 124884132

Frequently Asked Questions

What is the IUPAC name of N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The IUPAC name of N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide (CID 164629350) is N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide.
What is the SMILES notation for N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The canonical SMILES for N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is O=C(NC[C@H]1CCCC1(F)F)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
The InChIKey is VGULJGGXKXFDER-SECBINFHSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c15-14(16)5-1-2-9(14)7-17-12(20)8-3-4-10-11(6-8)19-13(21)18-10/h3-4,6,9H,1-2,5,7H2,(H,17,20)(H2,18,19,21)/t9-/m1/s1.
What are the key properties of N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide?
N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide has a molecular weight of 295.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R)-2,2-difluorocyclopentyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide is sourced from PubChem (CID 164629350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).