N-(1-cyclopentylpiperidin-4-yl)-4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methylbenzamide;4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide

C51H62F2N8O2 — CID 68740089

IUPACN-(1-cyclopentylpiperidin-4-yl)-4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methylbenzamide;4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
SMILESCc1nc2cc(F)ccc2n1Cc1ccc(C(=O)N(C)C2CCN(C3CCCC3)CC2)cc1.Cc1nc2cc(F)ccc2n1Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1
InChIInChI=1S/C27H33FN4O.C24H29FN4O/c1-19-29-25-17-22(28)11-12-26(25)32(19)18-20-7-9-21(10-8-20)27(33)30(2)23-13-15-31(16-14-23)24-5-3-4-6-24;1-16(2)28-12-11-21(15-28)27(4)24(30)19-7-5-18(6-8-19)14-29-17(3)26-22-13-20(25)9-10-23(22)29/h7-12,17,23-24H,3-6,13-16,18H2,1-2H3;5-10,13,16,21H,11-12,14-15H2,1-4H3/t;21-/m.1/s1
InChIKeyZRDKIMDOVBQEEN-AMOHVXGUSA-N
MW857.11 g/mol
LogP9.10
Rot. Bonds10

About N-(1-cyclopentylpiperidin-4-yl)-4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methylbenzamide;4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide

N-(1-cyclopentylpiperidin-4-yl)-4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methylbenzamide;4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide (PubChem CID 68740089) has the molecular formula C51H62F2N8O2 and a molecular weight of 857.11 g/mol. Its IUPAC name is N-(1-cyclopentylpiperidin-4-yl)-4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methylbenzamide;4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-(1-cyclopentylpiperidin-4-yl)-4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methylbenzamide;4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
PubChem CID68740089
Molecular FormulaC51H62F2N8O2
Molecular Weight857.11 g/mol
Exact Mass856.50
IUPAC NameN-(1-cyclopentylpiperidin-4-yl)-4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methylbenzamide;4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
SMILESCc1nc2cc(F)ccc2n1Cc1ccc(C(=O)N(C)C2CCN(C3CCCC3)CC2)cc1.Cc1nc2cc(F)ccc2n1Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1
InChIInChI=1S/C27H33FN4O.C24H29FN4O/c1-19-29-25-17-22(28)11-12-26(25)32(19)18-20-7-9-21(10-8-20)27(33)30(2)23-13-15-31(16-14-23)24-5-3-4-6-24;1-16(2)28-12-11-21(15-28)27(4)24(30)19-7-5-18(6-8-19)14-29-17(3)26-22-13-20(25)9-10-23(22)29/h7-12,17,23-24H,3-6,13-16,18H2,1-2H3;5-10,13,16,21H,11-12,14-15H2,1-4H3/t;21-/m.1/s1
InChIKeyZRDKIMDOVBQEEN-AMOHVXGUSA-N
XLogP9.10
TPSA82.74 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500857.11
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-(1-cyclopentylpiperidin-4-yl)-4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methylbenzamide;4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide with MolForge

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Related Compounds

4-[(6-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 68737817
N-[(3R)-1-cyclobutylpyrrolidin-3-yl]-4-[(2,5-dimethylbenzimidazol-1-yl)methyl]-N-methylbenzamide
CID 25119560
4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-[1-(1-iodocyclobutyl)pyrrolidin-3-yl]-N-methylbenzamide
CID 68793503
4-[(4-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide
CID 68736106
N-[(3R)-1-cyclopentylpyrrolidin-3-yl]-4-(indazol-1-ylmethyl)-N-methylbenzamide
CID 69251373
N-methyl-4-[(2-methylbenzimidazol-1-yl)methyl]-N-piperidin-3-ylbenzamide
CID 69248313
N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-N-methyl-4-(2-methylbenzimidazol-1-yl)benzamide
CID 25120609
4-[(7-fluorobenzimidazol-1-yl)methyl]-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25118496
4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride
CID 119842344
4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide
CID 12883727
N,2-dimethyl-4-(2-methylbenzimidazol-1-yl)-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
CID 68761872
4-(benzimidazol-1-ylmethyl)-N-(1-cyclopentylpiperidin-3-yl)-N-methylbenzamide
CID 68763667

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methylbenzamide;4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The IUPAC name of N-(1-cyclopentylpiperidin-4-yl)-4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methylbenzamide;4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide (CID 68740089) is N-(1-cyclopentylpiperidin-4-yl)-4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methylbenzamide;4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-(1-cyclopentylpiperidin-4-yl)-4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methylbenzamide;4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The canonical SMILES for N-(1-cyclopentylpiperidin-4-yl)-4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methylbenzamide;4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide is Cc1nc2cc(F)ccc2n1Cc1ccc(C(=O)N(C)C2CCN(C3CCCC3)CC2)cc1.Cc1nc2cc(F)ccc2n1Cc1ccc(C(=O)N(C)[C@@H]2CCN(C(C)C)C2)cc1.
What is the InChIKey of N-(1-cyclopentylpiperidin-4-yl)-4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methylbenzamide;4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
The InChIKey is ZRDKIMDOVBQEEN-AMOHVXGUSA-N. The full InChI is InChI=1S/C27H33FN4O.C24H29FN4O/c1-19-29-25-17-22(28)11-12-26(25)32(19)18-20-7-9-21(10-8-20)27(33)30(2)23-13-15-31(16-14-23)24-5-3-4-6-24;1-16(2)28-12-11-21(15-28)27(4)24(30)19-7-5-18(6-8-19)14-29-17(3)26-22-13-20(25)9-10-23(22)29/h7-12,17,23-24H,3-6,13-16,18H2,1-2H3;5-10,13,16,21H,11-12,14-15H2,1-4H3/t;21-/m.1/s1.
What are the key properties of N-(1-cyclopentylpiperidin-4-yl)-4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methylbenzamide;4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide?
N-(1-cyclopentylpiperidin-4-yl)-4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methylbenzamide;4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide has a molecular weight of 857.11 g/mol, XLogP of 9.10, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentylpiperidin-4-yl)-4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methylbenzamide;4-[(5-fluoro-2-methylbenzimidazol-1-yl)methyl]-N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]benzamide is sourced from PubChem (CID 68740089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).