3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide

C19H20FN3O2S — CID 91766589

IUPAC3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide
SMILESO=C(CCc1nc2ccc(F)cc2[nH]1)NC(c1cccs1)C1CC(O)C1
InChIInChI=1S/C19H20FN3O2S/c20-12-3-4-14-15(10-12)22-17(21-14)5-6-18(25)23-19(11-8-13(24)9-11)16-2-1-7-26-16/h1-4,7,10-11,13,19,24H,5-6,8-9H2,(H,21,22)(H,23,25)
InChIKeyFLDXUDYZNCTINQ-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.32
Rot. Bonds6

About 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide

3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide (PubChem CID 91766589) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide.

Molecular Properties

Compound Name3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide
PubChem CID91766589
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide
SMILESO=C(CCc1nc2ccc(F)cc2[nH]1)NC(c1cccs1)C1CC(O)C1
InChIInChI=1S/C19H20FN3O2S/c20-12-3-4-14-15(10-12)22-17(21-14)5-6-18(25)23-19(11-8-13(24)9-11)16-2-1-7-26-16/h1-4,7,10-11,13,19,24H,5-6,8-9H2,(H,21,22)(H,23,25)
InChIKeyFLDXUDYZNCTINQ-UHFFFAOYSA-N
XLogP3.32
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 91782926
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide
CID 91779224
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide
CID 91770476
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 91793745
3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 74240102
6-fluoro-2-(3-thiophen-2-ylpropyl)-1H-benzimidazole
CID 60978921
6-fluoro-N-[(3-hydroxycyclobutyl)-pyridin-2-ylmethyl]-1H-benzimidazole-2-carboxamide
CID 91780138
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide
CID 91764411
3-(6-fluoro-1H-benzimidazol-2-yl)-N-(2-oxoazepan-3-yl)propanamide
CID 74230128
methyl 3-[3-(1H-benzimidazol-2-yl)propanoylamino]-3-thiophen-2-ylpropanoate
CID 42937953
3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]propanamide
CID 125180059
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119898334

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide?
The IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide (CID 91766589) is 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide.
What is the SMILES notation for 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide?
The canonical SMILES for 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide is O=C(CCc1nc2ccc(F)cc2[nH]1)NC(c1cccs1)C1CC(O)C1.
What is the InChIKey of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide?
The InChIKey is FLDXUDYZNCTINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c20-12-3-4-14-15(10-12)22-17(21-14)5-6-18(25)23-19(11-8-13(24)9-11)16-2-1-7-26-16/h1-4,7,10-11,13,19,24H,5-6,8-9H2,(H,21,22)(H,23,25).
What are the key properties of 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide?
3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide has a molecular weight of 373.45 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1H-benzimidazol-2-yl)-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]propanamide is sourced from PubChem (CID 91766589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).