2-(2-cyclopropylbenzimidazol-1-yl)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide

C23H24F2N4O2 — CID 86963307

IUPAC2-(2-cyclopropylbenzimidazol-1-yl)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide
SMILESO=C(Cn1c(C2CC2)nc2ccccc21)NC1CCN(c2ccccc2OC(F)F)C1
InChIInChI=1S/C23H24F2N4O2/c24-23(25)31-20-8-4-3-7-19(20)28-12-11-16(13-28)26-21(30)14-29-18-6-2-1-5-17(18)27-22(29)15-9-10-15/h1-8,15-16,23H,9-14H2,(H,26,30)
InChIKeyHUVLRCVCBOZGRA-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.91
Rot. Bonds7

About 2-(2-cyclopropylbenzimidazol-1-yl)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide

2-(2-cyclopropylbenzimidazol-1-yl)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide (PubChem CID 86963307) has the molecular formula C23H24F2N4O2 and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-(2-cyclopropylbenzimidazol-1-yl)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-cyclopropylbenzimidazol-1-yl)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide
PubChem CID86963307
Molecular FormulaC23H24F2N4O2
Molecular Weight426.47 g/mol
Exact Mass426.19
IUPAC Name2-(2-cyclopropylbenzimidazol-1-yl)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide
SMILESO=C(Cn1c(C2CC2)nc2ccccc21)NC1CCN(c2ccccc2OC(F)F)C1
InChIInChI=1S/C23H24F2N4O2/c24-23(25)31-20-8-4-3-7-19(20)28-12-11-16(13-28)26-21(30)14-29-18-6-2-1-5-17(18)27-22(29)15-9-10-15/h1-8,15-16,23H,9-14H2,(H,26,30)
InChIKeyHUVLRCVCBOZGRA-UHFFFAOYSA-N
XLogP3.91
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(tetrazol-1-yl)acetamide
CID 124564998
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119882938
7-amino-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]heptanamide;dihydrochloride
CID 119882877
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 91646113
N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 124565166
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide
CID 56791669
N-[(3S)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]furan-2-carboxamide
CID 95629122
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86963270
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942100
(1R,2S,4R)-N-[(3R)-1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 124858948
3-[[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122002641
2-(2-aminoethyl)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646610

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropylbenzimidazol-1-yl)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(2-cyclopropylbenzimidazol-1-yl)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide (CID 86963307) is 2-(2-cyclopropylbenzimidazol-1-yl)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(2-cyclopropylbenzimidazol-1-yl)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(2-cyclopropylbenzimidazol-1-yl)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide is O=C(Cn1c(C2CC2)nc2ccccc21)NC1CCN(c2ccccc2OC(F)F)C1.
What is the InChIKey of 2-(2-cyclopropylbenzimidazol-1-yl)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide?
The InChIKey is HUVLRCVCBOZGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N4O2/c24-23(25)31-20-8-4-3-7-19(20)28-12-11-16(13-28)26-21(30)14-29-18-6-2-1-5-17(18)27-22(29)15-9-10-15/h1-8,15-16,23H,9-14H2,(H,26,30).
What are the key properties of 2-(2-cyclopropylbenzimidazol-1-yl)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide?
2-(2-cyclopropylbenzimidazol-1-yl)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide has a molecular weight of 426.47 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropylbenzimidazol-1-yl)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 86963307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).