N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide

C19H25N7 — CID 111742617

IUPACN'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCc1nc2ccccc2n1C)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C19H25N7/c1-20-19(26-9-8-14(13-26)15-10-22-24(2)12-15)21-11-18-23-16-6-4-5-7-17(16)25(18)3/h4-7,10,12,14H,8-9,11,13H2,1-3H3,(H,20,21)
InChIKeyDERONPFZXSZAEP-UHFFFAOYSA-N
MW351.46 g/mol
LogP1.87
Rot. Bonds3

About N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide

N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide (PubChem CID 111742617) has the molecular formula C19H25N7 and a molecular weight of 351.46 g/mol. Its IUPAC name is N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide.

Molecular Properties

Compound NameN'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
PubChem CID111742617
Molecular FormulaC19H25N7
Molecular Weight351.46 g/mol
Exact Mass351.22
IUPAC NameN'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
SMILESC/N=C(/NCc1nc2ccccc2n1C)N1CCC(c2cnn(C)c2)C1
InChIInChI=1S/C19H25N7/c1-20-19(26-9-8-14(13-26)15-10-22-24(2)12-15)21-11-18-23-16-6-4-5-7-17(16)25(18)3/h4-7,10,12,14H,8-9,11,13H2,1-3H3,(H,20,21)
InChIKeyDERONPFZXSZAEP-UHFFFAOYSA-N
XLogP1.87
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.46
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(methoxymethyl)phenyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742721
N'-methyl-3-(1-methylpyrazol-4-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)pyrrolidine-1-carboximidamide
CID 119143792
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111996007
N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109427094
N-[2-(dimethylamino)-2-phenylethyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111742267
N'-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111741957
N-[[2-(ethoxymethyl)phenyl]methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111741937
N-[(3-bromophenyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111743293
N-[(3-fluorophenyl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111741787
N'-methyl-3-(1-methylpyrazol-4-yl)-N-(3-phenylpropyl)pyrrolidine-1-carboximidamide;hydroiodide
CID 111743374
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-N'-methyl-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 119143954
N'-methyl-3-(1-methylpyrazol-4-yl)-N-(quinolin-8-ylmethyl)pyrrolidine-1-carboximidamide
CID 111740512

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The IUPAC name of N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide (CID 111742617) is N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide.
What is the SMILES notation for N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The canonical SMILES for N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide is C/N=C(/NCc1nc2ccccc2n1C)N1CCC(c2cnn(C)c2)C1.
What is the InChIKey of N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
The InChIKey is DERONPFZXSZAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7/c1-20-19(26-9-8-14(13-26)15-10-22-24(2)12-15)21-11-18-23-16-6-4-5-7-17(16)25(18)3/h4-7,10,12,14H,8-9,11,13H2,1-3H3,(H,20,21).
What are the key properties of N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide?
N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide has a molecular weight of 351.46 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide is sourced from PubChem (CID 111742617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).