N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide

C15H17N5O2 — CID 131908353

IUPACN-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide
SMILESCC(O)c1nc2ccc(NC(=O)CCn3cccn3)cc2[nH]1
InChIInChI=1S/C15H17N5O2/c1-10(21)15-18-12-4-3-11(9-13(12)19-15)17-14(22)5-8-20-7-2-6-16-20/h2-4,6-7,9-10,21H,5,8H2,1H3,(H,17,22)(H,18,19)
InChIKeyVJHKKXLMLSJEOW-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.84
Rot. Bonds5

About N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide

N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide (PubChem CID 131908353) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide
PubChem CID131908353
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide
SMILESCC(O)c1nc2ccc(NC(=O)CCn3cccn3)cc2[nH]1
InChIInChI=1S/C15H17N5O2/c1-10(21)15-18-12-4-3-11(9-13(12)19-15)17-14(22)5-8-20-7-2-6-16-20/h2-4,6-7,9-10,21H,5,8H2,1H3,(H,17,22)(H,18,19)
InChIKeyVJHKKXLMLSJEOW-UHFFFAOYSA-N
XLogP1.84
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylquinoxalin-6-yl)-3-pyrazol-1-ylpropanamide
CID 92596027
2-cyano-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 168520800
3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide
CID 110204352
2-(3,4-dimethylphenyl)-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 131918595
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-piperidin-4-ylacetamide
CID 131891746
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 131938928
N-[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-6-pyrrol-1-ylhexanamide
CID 127254570
N-(3-ethylphenyl)-3-pyrazol-1-ylpropanamide
CID 46339322
2-(1,3-benzodioxol-5-yl)-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]acetamide
CID 131936069
[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]thiourea
CID 169356684
N-(2-methyl-3H-benzimidazol-5-yl)-6-pyrrol-1-ylhexanamide
CID 127255298
3,4-difluoro-N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]benzamide
CID 131952585

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide?
The IUPAC name of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide (CID 131908353) is N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide.
What is the SMILES notation for N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide?
The canonical SMILES for N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide is CC(O)c1nc2ccc(NC(=O)CCn3cccn3)cc2[nH]1.
What is the InChIKey of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide?
The InChIKey is VJHKKXLMLSJEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-10(21)15-18-12-4-3-11(9-13(12)19-15)17-14(22)5-8-20-7-2-6-16-20/h2-4,6-7,9-10,21H,5,8H2,1H3,(H,17,22)(H,18,19).
What are the key properties of N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide?
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide has a molecular weight of 299.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-3-pyrazol-1-ylpropanamide is sourced from PubChem (CID 131908353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).