[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C14H15F2N3O2 — CID 136581636

IUPAC[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCn1c(C(F)F)nc2cc(C(=O)N3CC[C@H](O)C3)ccc21
InChIInChI=1S/C14H15F2N3O2/c1-18-11-3-2-8(6-10(11)17-13(18)12(15)16)14(21)19-5-4-9(20)7-19/h2-3,6,9,12,20H,4-5,7H2,1H3/t9-/m0/s1
InChIKeyMFADDGVIUFBMSA-VIFPVBQESA-N
MW295.29 g/mol
LogP1.72
Rot. Bonds2

About [2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 136581636) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is [2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID136581636
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCn1c(C(F)F)nc2cc(C(=O)N3CC[C@H](O)C3)ccc21
InChIInChI=1S/C14H15F2N3O2/c1-18-11-3-2-8(6-10(11)17-13(18)12(15)16)14(21)19-5-4-9(20)7-19/h2-3,6,9,12,20H,4-5,7H2,1H3/t9-/m0/s1
InChIKeyMFADDGVIUFBMSA-VIFPVBQESA-N
XLogP1.72
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azetidin-1-yl-[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]methanone
CID 166179148
[4-[2-(difluoromethyl)-1-methylbenzimidazole-5-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 136540005
(1,2-dimethylbenzimidazol-5-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023368
(4-methylpiperazin-1-yl)-(1-methyl-2-propan-2-ylbenzimidazol-5-yl)methanone
CID 110765962
(3-hydroxypyrrolidin-1-yl)-(1-methylindol-6-yl)methanone
CID 112530732
2H-benzotriazol-5-yl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029470
(3,3-diethylpyrrolidin-1-yl)-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylbenzimidazol-5-yl]methanone
CID 72869622
(1,2-dimethylbenzimidazol-5-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 46981412
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-methyl-4-propan-2-ylphenyl)methanone
CID 58969991
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
(3-fluoro-4-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66262037
(4-hydroxy-3-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 59238538

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 136581636) is [2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is Cn1c(C(F)F)nc2cc(C(=O)N3CC[C@H](O)C3)ccc21.
What is the InChIKey of [2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is MFADDGVIUFBMSA-VIFPVBQESA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-18-11-3-2-8(6-10(11)17-13(18)12(15)16)14(21)19-5-4-9(20)7-19/h2-3,6,9,12,20H,4-5,7H2,1H3/t9-/m0/s1.
What are the key properties of [2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
[2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 295.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethyl)-1-methylbenzimidazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 136581636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).