6-fluoro-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-benzimidazole-2-carboxamide

C18H17FN4O2 — CID 91780138

IUPAC6-fluoro-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-benzimidazole-2-carboxamide
SMILESO=C(NC(c1ccccn1)C1CC(O)C1)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H17FN4O2/c19-11-4-5-13-15(9-11)22-17(21-13)18(25)23-16(10-7-12(24)8-10)14-3-1-2-6-20-14/h1-6,9-10,12,16,24H,7-8H2,(H,21,22)(H,23,25)
InChIKeyFUTARKWKEMFQNX-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.34
Rot. Bonds4

About 6-fluoro-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-benzimidazole-2-carboxamide

6-fluoro-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-benzimidazole-2-carboxamide (PubChem CID 91780138) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 6-fluoro-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-benzimidazole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-benzimidazole-2-carboxamide
PubChem CID91780138
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name6-fluoro-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-benzimidazole-2-carboxamide
SMILESO=C(NC(c1ccccn1)C1CC(O)C1)c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H17FN4O2/c19-11-4-5-13-15(9-11)22-17(21-13)18(25)23-16(10-7-12(24)8-10)14-3-1-2-6-20-14/h1-6,9-10,12,16,24H,7-8H2,(H,21,22)(H,23,25)
InChIKeyFUTARKWKEMFQNX-UHFFFAOYSA-N
XLogP2.34
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]quinoline-2-carboxamide
CID 91787622
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-3,4-dimethylbenzamide
CID 91773593
3-(dimethylamino)-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]benzamide
CID 91794811
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 91792638
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 91785303
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2,3-dimethoxybenzamide
CID 91789954
5-ethyl-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-pyrazole-4-carboxamide
CID 91768711
3-amino-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1,2-thiazole-4-carboxamide
CID 91787083
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methylimidazo[1,2-a]pyrimidine-3-carboxamide
CID 91780244
3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide
CID 91766589
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-2-methoxy-4-methyl-1,3-thiazole-5-carboxamide
CID 91788788
N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]tetrazolo[1,5-a]pyridine-7-carboxamide
CID 91759644

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-benzimidazole-2-carboxamide?
The IUPAC name of 6-fluoro-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-benzimidazole-2-carboxamide (CID 91780138) is 6-fluoro-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-benzimidazole-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-benzimidazole-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-benzimidazole-2-carboxamide is O=C(NC(c1ccccn1)C1CC(O)C1)c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-benzimidazole-2-carboxamide?
The InChIKey is FUTARKWKEMFQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-11-4-5-13-15(9-11)22-17(21-13)18(25)23-16(10-7-12(24)8-10)14-3-1-2-6-20-14/h1-6,9-10,12,16,24H,7-8H2,(H,21,22)(H,23,25).
What are the key properties of 6-fluoro-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-benzimidazole-2-carboxamide?
6-fluoro-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-benzimidazole-2-carboxamide has a molecular weight of 340.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-benzimidazole-2-carboxamide is sourced from PubChem (CID 91780138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).