1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide

C19H25N5O — CID 50970727

IUPAC1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCc2nc3ccccc3n2C)n(C)n1
InChIInChI=1S/C19H25N5O/c1-13(2)15-12-17(24(4)22-15)19(25)20-11-7-10-18-21-14-8-5-6-9-16(14)23(18)3/h5-6,8-9,12-13H,7,10-11H2,1-4H3,(H,20,25)
InChIKeyYBARFSMVTXIRBF-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.79
Rot. Bonds6

About 1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide

1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 50970727) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID50970727
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCCc2nc3ccccc3n2C)n(C)n1
InChIInChI=1S/C19H25N5O/c1-13(2)15-12-17(24(4)22-15)19(25)20-11-7-10-18-21-14-8-5-6-9-16(14)23(18)3/h5-6,8-9,12-13H,7,10-11H2,1-4H3,(H,20,25)
InChIKeyYBARFSMVTXIRBF-UHFFFAOYSA-N
XLogP2.79
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(1-methylbenzimidazol-2-yl)propyl]propanamide
CID 95630274
3-bromo-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16983297
2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16982503
3-amino-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide
CID 91769490
2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 118771504
3-amino-2-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-phenylpropanamide;dihydrochloride
CID 119889914
N-[3-(1-methylbenzimidazol-2-yl)propyl]hexanamide
CID 56792616
4-methyl-N-[5-(1-methylbenzimidazol-2-yl)pentyl]-2-pyrrol-1-ylpentanamide
CID 121239237
N-[3-(1-methylbenzimidazol-2-yl)propyl]pyrrolidine-3-carboxamide
CID 119889963
(2S)-N-[3-(1-methylbenzimidazol-2-yl)propyl]-2-pyrrolidin-1-ylbutanamide
CID 124756311
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
5-acetyl-2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-1H-pyrrole-3-carboxamide
CID 118787005

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide (CID 50970727) is 1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)NCCCc2nc3ccccc3n2C)n(C)n1.
What is the InChIKey of 1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is YBARFSMVTXIRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13(2)15-12-17(24(4)22-15)19(25)20-11-7-10-18-21-14-8-5-6-9-16(14)23(18)3/h5-6,8-9,12-13H,7,10-11H2,1-4H3,(H,20,25).
What are the key properties of 1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide?
1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 50970727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).