cis-(1R,2S)-N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide

C18H16FN3O — CID 41015281

IUPACcis-(1R,2S)-N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)[C@@H]1C[C@@H]1c1ccccc1F
InChIInChI=1S/C18H16FN3O/c19-14-6-2-1-5-11(14)12-9-13(12)18(23)20-10-17-21-15-7-3-4-8-16(15)22-17/h1-8,12-13H,9-10H2,(H,20,23)(H,21,22)/t12-,13-/m1/s1
InChIKeyJPJXUDJAOTVKQE-CHWSQXEVSA-N
MW309.34 g/mol
LogP3.12
Rot. Bonds4

About cis-(1R,2S)-N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide

cis-(1R,2S)-N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 41015281) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is cis-(1R,2S)-N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID41015281
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC Namecis-(1R,2S)-N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(NCc1nc2ccccc2[nH]1)[C@@H]1C[C@@H]1c1ccccc1F
InChIInChI=1S/C18H16FN3O/c19-14-6-2-1-5-11(14)12-9-13(12)18(23)20-10-17-21-15-7-3-4-8-16(15)22-17/h1-8,12-13H,9-10H2,(H,20,23)(H,21,22)/t12-,13-/m1/s1
InChIKeyJPJXUDJAOTVKQE-CHWSQXEVSA-N
XLogP3.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 17396832
trans-(1R,2R)-N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-difluorophenyl)cyclopropane-1-carboxamide
CID 124607179
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 55936326
N-(1H-benzimidazol-2-ylmethyl)-2-fluorobenzamide
CID 947655
2-(2-fluorophenyl)-N-(2-hydroxyethyl)cyclopropane-1-carboxamide
CID 78831616
N-(1H-benzimidazol-2-ylmethyl)-1,4-dioxane-2-carboxamide
CID 47178137
2-(2-fluorophenyl)-N-(3-hydroxypropyl)cyclopropane-1-carboxamide
CID 78854955
3-amino-N-(1H-benzimidazol-2-ylmethyl)cyclohexane-1-carboxamide;dihydrochloride
CID 119853959
N-(1H-benzimidazol-2-ylmethyl)-4-hydroxy-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 20594444
(E)-N-(1H-benzimidazol-2-ylmethyl)but-2-enamide
CID 71627908
N-(1H-benzimidazol-2-ylmethyl)-1-(4-fluoro-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 90609448
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 41015281) is cis-(1R,2S)-N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide is O=C(NCc1nc2ccccc2[nH]1)[C@@H]1C[C@@H]1c1ccccc1F.
What is the InChIKey of cis-(1R,2S)-N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is JPJXUDJAOTVKQE-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H16FN3O/c19-14-6-2-1-5-11(14)12-9-13(12)18(23)20-10-17-21-15-7-3-4-8-16(15)22-17/h1-8,12-13H,9-10H2,(H,20,23)(H,21,22)/t12-,13-/m1/s1.
What are the key properties of cis-(1R,2S)-N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 309.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 41015281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).