[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

C19H16FN5O2 — CID 146024701

IUPAC[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCCC1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C19H16FN5O2/c20-11-5-6-12-13(9-11)22-18(21-12)16-3-1-7-25(16)19(26)15-10-14(23-24-15)17-4-2-8-27-17/h2,4-6,8-10,16H,1,3,7H2,(H,21,22)(H,23,24)
InChIKeyVXBOLLZRFWLJFF-UHFFFAOYSA-N
MW365.37 g/mol
LogP3.66
Rot. Bonds3

About [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone

[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 146024701) has the molecular formula C19H16FN5O2 and a molecular weight of 365.37 g/mol. Its IUPAC name is [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID146024701
Molecular FormulaC19H16FN5O2
Molecular Weight365.37 g/mol
Exact Mass365.13
IUPAC Name[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone
SMILESO=C(c1cc(-c2ccco2)[nH]n1)N1CCCC1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C19H16FN5O2/c20-11-5-6-12-13(9-11)22-18(21-12)16-3-1-7-25(16)19(26)15-10-14(23-24-15)17-4-2-8-27-17/h2,4-6,8-10,16H,1,3,7H2,(H,21,22)(H,23,24)
InChIKeyVXBOLLZRFWLJFF-UHFFFAOYSA-N
XLogP3.66
TPSA90.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(furan-2-yl)-4-phenyl-1H-pyrazol-3-yl]-1H-benzimidazole
CID 2110554
N-(2-((3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)oxy)ethyl)-3-(furan-2-yl)-1H-pyrazole-5-carboxamide
CID 45501665
2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-6-methyl-1H-benzimidazole
CID 163215614
2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-1H-benzimidazole
CID 163215616
(2S)-1-[4-[[5-(furan-2-yl)-1H-pyrazol-3-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-piperidin-3-ylpyrrolidine-2-carboxamide
CID 57680654
2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-6-methoxy-1H-benzimidazole
CID 172445973
2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-6-(trifluoromethoxy)-1H-benzimidazole
CID 172446271
2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-6-fluoro-1H-benzimidazole
CID 172452486
2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-4-methyl-1H-benzimidazole
CID 172465057
2-[1-tert-butyl-5-(furan-2-yl)pyrazol-3-yl]-6-(trifluoromethyl)-1H-benzimidazole
CID 172470848
N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1165091
1-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}methanamine
CID 50973064

Frequently Asked Questions

What is the IUPAC name of [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone (CID 146024701) is [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is O=C(c1cc(-c2ccco2)[nH]n1)N1CCCC1c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is VXBOLLZRFWLJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5O2/c20-11-5-6-12-13(9-11)22-18(21-12)16-3-1-7-25(16)19(26)15-10-14(23-24-15)17-4-2-8-27-17/h2,4-6,8-10,16H,1,3,7H2,(H,21,22)(H,23,24).
What are the key properties of [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone?
[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 365.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 146024701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).