N-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide

C17H21N5O — CID 60509484

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C(C)(C)C)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H21N5O/c1-11(15-20-13-7-5-6-8-14(13)21-15)19-16(23)12-9-18-22(10-12)17(2,3)4/h5-11H,1-4H3,(H,19,23)(H,20,21)
InChIKeyKYYVTKIAGAHTFK-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.01
Rot. Bonds3

About N-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide (PubChem CID 60509484) has the molecular formula C17H21N5O and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide
PubChem CID60509484
Molecular FormulaC17H21N5O
Molecular Weight311.39 g/mol
Exact Mass311.17
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide
SMILESCC(NC(=O)c1cnn(C(C)(C)C)c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H21N5O/c1-11(15-20-13-7-5-6-8-14(13)21-15)19-16(23)12-9-18-22(10-12)17(2,3)4/h5-11H,1-4H3,(H,19,23)(H,20,21)
InChIKeyKYYVTKIAGAHTFK-UHFFFAOYSA-N
XLogP3.01
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-methyl-6-oxopyridine-3-carboxamide
CID 95233258
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95872440
2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 110460891
4-(aminomethyl)-N-[1-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 82546053
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-methylsulfinylbenzamide
CID 78806018
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
N-[1-(1H-benzimidazol-2-yl)ethyl]-4-(1H-pyrazol-5-yl)benzamide
CID 74232246
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-6-methoxypyridine-3-carboxamide
CID 18116503
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3,4-dimethoxybenzamide
CID 2156760
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide (CID 60509484) is N-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide is CC(NC(=O)c1cnn(C(C)(C)C)c1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide?
The InChIKey is KYYVTKIAGAHTFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O/c1-11(15-20-13-7-5-6-8-14(13)21-15)19-16(23)12-9-18-22(10-12)17(2,3)4/h5-11H,1-4H3,(H,19,23)(H,20,21).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-1-tert-butylpyrazole-4-carboxamide is sourced from PubChem (CID 60509484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).