N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide

C16H19N5O — CID 77090072

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1CCC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H19N5O/c1-21-12(8-11-18-21)6-7-16(22)17-10-9-15-19-13-4-2-3-5-14(13)20-15/h2-5,8,11H,6-7,9-10H2,1H3,(H,17,22)(H,19,20)
InChIKeyHKUVUQNQTKXGJB-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.59
Rot. Bonds6

About N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide (PubChem CID 77090072) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide
PubChem CID77090072
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide
SMILESCn1nccc1CCC(=O)NCCc1nc2ccccc2[nH]1
InChIInChI=1S/C16H19N5O/c1-21-12(8-11-18-21)6-7-16(22)17-10-9-15-19-13-4-2-3-5-14(13)20-15/h2-5,8,11H,6-7,9-10H2,1H3,(H,17,22)(H,19,20)
InChIKeyHKUVUQNQTKXGJB-UHFFFAOYSA-N
XLogP1.59
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 43229201
4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutanoate
CID 6997429
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 17417855
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-oxobutanamide
CID 110460612
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-imidazol-1-ylpropanamide
CID 43229181
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]pentanamide;dihydrochloride
CID 120564313
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-ethoxyphenyl)propanamide
CID 37218639
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 118761451
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(2-methylpyrazol-3-yl)propanamide
CID 124618083
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-ethylurea
CID 43224751

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide (CID 77090072) is N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide is Cn1nccc1CCC(=O)NCCc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide?
The InChIKey is HKUVUQNQTKXGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-21-12(8-11-18-21)6-7-16(22)17-10-9-15-19-13-4-2-3-5-14(13)20-15/h2-5,8,11H,6-7,9-10H2,1H3,(H,17,22)(H,19,20).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide has a molecular weight of 297.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(2-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 77090072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).