3-(fluoromethyl)-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide

C23H27FN4O — CID 91329414

IUPAC3-(fluoromethyl)-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
SMILESCc1nc2ccccc2n1-c1ccc(C(=O)NC2CCN(C(C)C)C2)cc1CF
InChIInChI=1S/C23H27FN4O/c1-15(2)27-11-10-19(14-27)26-23(29)17-8-9-21(18(12-17)13-24)28-16(3)25-20-6-4-5-7-22(20)28/h4-9,12,15,19H,10-11,13-14H2,1-3H3,(H,26,29)
InChIKeySDLALMYKYSDPDX-UHFFFAOYSA-N
MW394.49 g/mol
LogP4.02
Rot. Bonds5

About 3-(fluoromethyl)-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide

3-(fluoromethyl)-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide (PubChem CID 91329414) has the molecular formula C23H27FN4O and a molecular weight of 394.49 g/mol. Its IUPAC name is 3-(fluoromethyl)-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide.

Molecular Properties

Compound Name3-(fluoromethyl)-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
PubChem CID91329414
Molecular FormulaC23H27FN4O
Molecular Weight394.49 g/mol
Exact Mass394.22
IUPAC Name3-(fluoromethyl)-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
SMILESCc1nc2ccccc2n1-c1ccc(C(=O)NC2CCN(C(C)C)C2)cc1CF
InChIInChI=1S/C23H27FN4O/c1-15(2)27-11-10-19(14-27)26-23(29)17-8-9-21(18(12-17)13-24)28-16(3)25-20-6-4-5-7-22(20)28/h4-9,12,15,19H,10-11,13-14H2,1-3H3,(H,26,29)
InChIKeySDLALMYKYSDPDX-UHFFFAOYSA-N
XLogP4.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-4-(2-methylbenzimidazol-1-yl)benzamide
CID 68736309
2-methyl-N-[(3S)-1-methylpiperidin-3-yl]-1-phenylbenzimidazole-5-carboxamide
CID 95761729
N,2-dimethyl-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 68761872
N-(1-propan-2-ylpiperidin-4-yl)-1-(2,2,2-trifluoroethoxy)benzimidazole-2-carboxamide
CID 142966374
1-ethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzimidazole-2-carboxamide
CID 160963634
N-[1-[1-[1-(difluoromethyl)benzimidazol-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide
CID 55739430
2-methyl-1-[2-(2-methylbenzimidazol-1-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318625
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236563
N-(1-propan-2-ylpiperidin-4-yl)-1,3-benzodioxole-5-carboxamide
CID 51194544
2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride
CID 119452060
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
1-methyl-N-(1-propan-2-ylpiperidin-4-yl)indole-2-carboxamide
CID 142244434

Frequently Asked Questions

What is the IUPAC name of 3-(fluoromethyl)-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide?
The IUPAC name of 3-(fluoromethyl)-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide (CID 91329414) is 3-(fluoromethyl)-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide.
What is the SMILES notation for 3-(fluoromethyl)-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide?
The canonical SMILES for 3-(fluoromethyl)-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide is Cc1nc2ccccc2n1-c1ccc(C(=O)NC2CCN(C(C)C)C2)cc1CF.
What is the InChIKey of 3-(fluoromethyl)-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide?
The InChIKey is SDLALMYKYSDPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O/c1-15(2)27-11-10-19(14-27)26-23(29)17-8-9-21(18(12-17)13-24)28-16(3)25-20-6-4-5-7-22(20)28/h4-9,12,15,19H,10-11,13-14H2,1-3H3,(H,26,29).
What are the key properties of 3-(fluoromethyl)-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide?
3-(fluoromethyl)-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide has a molecular weight of 394.49 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide is sourced from PubChem (CID 91329414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).