N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide

C25H22FN3O — CID 55936326

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)C1CC1c1ccccc1F
InChIInChI=1S/C25H22FN3O/c26-20-11-5-4-10-17(20)18-15-19(18)25(30)29-23(14-16-8-2-1-3-9-16)24-27-21-12-6-7-13-22(21)28-24/h1-13,18-19,23H,14-15H2,(H,27,28)(H,29,30)/t18?,19?,23-/m0/s1
InChIKeyATCOIYRFXWMMEP-XWEVFREBSA-N
MW399.47 g/mol
LogP4.91
Rot. Bonds6

About N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 55936326) has the molecular formula C25H22FN3O and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID55936326
Molecular FormulaC25H22FN3O
Molecular Weight399.47 g/mol
Exact Mass399.17
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESO=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)C1CC1c1ccccc1F
InChIInChI=1S/C25H22FN3O/c26-20-11-5-4-10-17(20)18-15-19(18)25(30)29-23(14-16-8-2-1-3-9-16)24-27-21-12-6-7-13-22(21)28-24/h1-13,18-19,23H,14-15H2,(H,27,28)(H,29,30)/t18?,19?,23-/m0/s1
InChIKeyATCOIYRFXWMMEP-XWEVFREBSA-N
XLogP4.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 41015281
N-(1H-benzimidazol-2-ylmethyl)-2-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 17396832
1-acetyl-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]piperidine-4-carboxamide
CID 9116736
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-chloro-4,5-difluorobenzamide
CID 2330762
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-1-(furan-2-carbonyl)piperidine-4-carboxamide
CID 46563500
N-[(1R)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-3-methylsulfanylpropanamide
CID 40633884
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(4-bromophenyl)acetamide
CID 4877413
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-methylpyridine-3-carboxamide
CID 46563495
N-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 40633986
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 3653845
N-[1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-[(4-fluorophenyl)methoxy]benzamide
CID 4969011
1-[(1R)-1-(1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]-3-[(1S,2R)-2-phenylcyclopropyl]urea
CID 121471094

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 55936326) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide is O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)C1CC1c1ccccc1F.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is ATCOIYRFXWMMEP-XWEVFREBSA-N. The full InChI is InChI=1S/C25H22FN3O/c26-20-11-5-4-10-17(20)18-15-19(18)25(30)29-23(14-16-8-2-1-3-9-16)24-27-21-12-6-7-13-22(21)28-24/h1-13,18-19,23H,14-15H2,(H,27,28)(H,29,30)/t18?,19?,23-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 399.47 g/mol, XLogP of 4.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-2-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 55936326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).