5-(benzimidazol-1-ylmethyl)-N-[(3-ethylimidazol-4-yl)methyl]-1H-pyrazole-3-carboxamide

C18H19N7O — CID 56740184

IUPAC5-(benzimidazol-1-ylmethyl)-N-[(3-ethylimidazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCn1cncc1CNC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1
InChIInChI=1S/C18H19N7O/c1-2-24-11-19-8-14(24)9-20-18(26)16-7-13(22-23-16)10-25-12-21-15-5-3-4-6-17(15)25/h3-8,11-12H,2,9-10H2,1H3,(H,20,26)(H,22,23)
InChIKeyRUHSNEARELTMKP-UHFFFAOYSA-N
MW349.40 g/mol
LogP1.95
Rot. Bonds6

About 5-(benzimidazol-1-ylmethyl)-N-[(3-ethylimidazol-4-yl)methyl]-1H-pyrazole-3-carboxamide

5-(benzimidazol-1-ylmethyl)-N-[(3-ethylimidazol-4-yl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 56740184) has the molecular formula C18H19N7O and a molecular weight of 349.40 g/mol. Its IUPAC name is 5-(benzimidazol-1-ylmethyl)-N-[(3-ethylimidazol-4-yl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(benzimidazol-1-ylmethyl)-N-[(3-ethylimidazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID56740184
Molecular FormulaC18H19N7O
Molecular Weight349.40 g/mol
Exact Mass349.17
IUPAC Name5-(benzimidazol-1-ylmethyl)-N-[(3-ethylimidazol-4-yl)methyl]-1H-pyrazole-3-carboxamide
SMILESCCn1cncc1CNC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1
InChIInChI=1S/C18H19N7O/c1-2-24-11-19-8-14(24)9-20-18(26)16-7-13(22-23-16)10-25-12-21-15-5-3-4-6-17(15)25/h3-8,11-12H,2,9-10H2,1H3,(H,20,26)(H,22,23)
InChIKeyRUHSNEARELTMKP-UHFFFAOYSA-N
XLogP1.95
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(benzimidazol-1-ylmethyl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 56750239
5-(benzimidazol-1-ylmethyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-1H-pyrazole-3-carboxamide
CID 26396678
5-(benzimidazol-1-ylmethyl)-N-[(2S)-2-pyrrolidin-1-ylpropyl]-1H-pyrazole-3-carboxamide
CID 95201785
5-(benzimidazol-1-ylmethyl)-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-3-carboxamide
CID 42520590
5-(benzimidazol-1-ylmethyl)-N-[(1S)-2-hydroxy-1-pyridin-3-ylethyl]-1H-pyrazole-3-carboxamide
CID 95213113
5-(benzimidazol-1-ylmethyl)-N-(5-oxo-1-propylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
CID 56745517
5-(benzimidazol-1-ylmethyl)-N-(cyclopropylmethyl)-N-propyl-1H-pyrazole-3-carboxamide
CID 56754049
5-(benzimidazol-1-ylmethyl)-N-methyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 95196702
5-(benzimidazol-1-ylmethyl)-N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-N-methyl-1H-pyrazole-3-carboxamide
CID 56758151
5-(benzimidazol-1-ylmethyl)-N-ethyl-N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-1H-pyrazole-3-carboxamide
CID 95221587
2-(2-ethylbenzimidazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]butanamide
CID 72896685
5-(benzimidazol-1-ylmethyl)-N-methyl-N-[[(2R)-oxan-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 42197287

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-[(3-ethylimidazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(benzimidazol-1-ylmethyl)-N-[(3-ethylimidazol-4-yl)methyl]-1H-pyrazole-3-carboxamide (CID 56740184) is 5-(benzimidazol-1-ylmethyl)-N-[(3-ethylimidazol-4-yl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(benzimidazol-1-ylmethyl)-N-[(3-ethylimidazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(benzimidazol-1-ylmethyl)-N-[(3-ethylimidazol-4-yl)methyl]-1H-pyrazole-3-carboxamide is CCn1cncc1CNC(=O)c1cc(Cn2cnc3ccccc32)[nH]n1.
What is the InChIKey of 5-(benzimidazol-1-ylmethyl)-N-[(3-ethylimidazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is RUHSNEARELTMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7O/c1-2-24-11-19-8-14(24)9-20-18(26)16-7-13(22-23-16)10-25-12-21-15-5-3-4-6-17(15)25/h3-8,11-12H,2,9-10H2,1H3,(H,20,26)(H,22,23).
What are the key properties of 5-(benzimidazol-1-ylmethyl)-N-[(3-ethylimidazol-4-yl)methyl]-1H-pyrazole-3-carboxamide?
5-(benzimidazol-1-ylmethyl)-N-[(3-ethylimidazol-4-yl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 349.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-ylmethyl)-N-[(3-ethylimidazol-4-yl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56740184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).