N-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide

C15H17N5O — CID 60731653

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
SMILESCC(NC(=O)C(C)n1cccn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H17N5O/c1-10(14-18-12-6-3-4-7-13(12)19-14)17-15(21)11(2)20-9-5-8-16-20/h3-11H,1-2H3,(H,17,21)(H,18,19)
InChIKeyJXAOUACFRWLRBO-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.20
Rot. Bonds4

About N-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide (PubChem CID 60731653) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
PubChem CID60731653
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide
SMILESCC(NC(=O)C(C)n1cccn1)c1nc2ccccc2[nH]1
InChIInChI=1S/C15H17N5O/c1-10(14-18-12-6-3-4-7-13(12)19-14)17-15(21)11(2)20-9-5-8-16-20/h3-11H,1-2H3,(H,17,21)(H,18,19)
InChIKeyJXAOUACFRWLRBO-UHFFFAOYSA-N
XLogP2.20
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide
CID 115532400
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate
CID 62668799
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(3,4-dichlorophenoxy)propanamide
CID 60509750
2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 110460891
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 30157421
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 60509545

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide (CID 60731653) is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide is CC(NC(=O)C(C)n1cccn1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide?
The InChIKey is JXAOUACFRWLRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-10(14-18-12-6-3-4-7-13(12)19-14)17-15(21)11(2)20-9-5-8-16-20/h3-11H,1-2H3,(H,17,21)(H,18,19).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-pyrazol-1-ylpropanamide has a molecular weight of 283.33 g/mol, XLogP of 2.20, 4 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]-2-pyrazol-1-ylpropanamide is sourced from PubChem (CID 60731653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).