N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride

C15H19ClF2N4O — CID 120954955

IUPACN-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cccc2nc(CNC(=O)C3CC(F)(F)CN3)n(C)c12.Cl
InChIInChI=1S/C15H18F2N4O.ClH/c1-9-4-3-5-10-13(9)21(2)12(20-10)7-18-14(22)11-6-15(16,17)8-19-11;/h3-5,11,19H,6-8H2,1-2H3,(H,18,22);1H
InChIKeyTXBBEQVOHDFRIV-UHFFFAOYSA-N
MW344.79 g/mol
LogP1.92
Rot. Bonds3

About N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride

N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120954955) has the molecular formula C15H19ClF2N4O and a molecular weight of 344.79 g/mol. Its IUPAC name is N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
PubChem CID120954955
Molecular FormulaC15H19ClF2N4O
Molecular Weight344.79 g/mol
Exact Mass344.12
IUPAC NameN-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
SMILESCc1cccc2nc(CNC(=O)C3CC(F)(F)CN3)n(C)c12.Cl
InChIInChI=1S/C15H18F2N4O.ClH/c1-9-4-3-5-10-13(9)21(2)12(20-10)7-18-14(22)11-6-15(16,17)8-19-11;/h3-5,11,19H,6-8H2,1-2H3,(H,18,22);1H
InChIKeyTXBBEQVOHDFRIV-UHFFFAOYSA-N
XLogP1.92
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.79
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 166239437
9-amino-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120992778
5-cyclopropyl-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-1H-pyrazole-3-carboxamide
CID 136515181
2-(1,3-dihydroisoindol-2-yl)-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide
CID 71911492
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]ethanamine
CID 81455738
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 71848970
N-[(5-chloro-2-pyridinyl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride
CID 120955436
4,4-difluoro-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 120954872
1-[(1,7-dimethylbenzimidazol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 81455939
4,4-difluoro-N-(2-pyridin-4-ylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 120954724
4,4-difluoro-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120955206
2-[(7R)-5,7-dihydro-4H-thieno[2,3-c]pyran-7-yl]-N-[(1,7-dimethylbenzimidazol-2-yl)methyl]acetamide
CID 97072566

Frequently Asked Questions

What is the IUPAC name of N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride (CID 120954955) is N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride is Cc1cccc2nc(CNC(=O)C3CC(F)(F)CN3)n(C)c12.Cl.
What is the InChIKey of N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is TXBBEQVOHDFRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N4O.ClH/c1-9-4-3-5-10-13(9)21(2)12(20-10)7-18-14(22)11-6-15(16,17)8-19-11;/h3-5,11,19H,6-8H2,1-2H3,(H,18,22);1H.
What are the key properties of N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride?
N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 344.79 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,7-dimethylbenzimidazol-2-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120954955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).