3-(1H-benzimidazol-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide

C15H20N4O2 — CID 120943172

IUPAC3-(1H-benzimidazol-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NCC1CNCC1O
InChIInChI=1S/C15H20N4O2/c20-13-9-16-7-10(13)8-17-15(21)6-5-14-18-11-3-1-2-4-12(11)19-14/h1-4,10,13,16,20H,5-9H2,(H,17,21)(H,18,19)
InChIKeyZFXAYADVUJUZRE-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.19
Rot. Bonds5

About 3-(1H-benzimidazol-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide

3-(1H-benzimidazol-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide (PubChem CID 120943172) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
PubChem CID120943172
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-(1H-benzimidazol-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide
SMILESO=C(CCc1nc2ccccc2[nH]1)NCC1CNCC1O
InChIInChI=1S/C15H20N4O2/c20-13-9-16-7-10(13)8-17-15(21)6-5-14-18-11-3-1-2-4-12(11)19-14/h1-4,10,13,16,20H,5-9H2,(H,17,21)(H,18,19)
InChIKeyZFXAYADVUJUZRE-UHFFFAOYSA-N
XLogP0.19
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide (CID 120943172) is 3-(1H-benzimidazol-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide is O=C(CCc1nc2ccccc2[nH]1)NCC1CNCC1O.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
The InChIKey is ZFXAYADVUJUZRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c20-13-9-16-7-10(13)8-17-15(21)6-5-14-18-11-3-1-2-4-12(11)19-14/h1-4,10,13,16,20H,5-9H2,(H,17,21)(H,18,19).
What are the key properties of 3-(1H-benzimidazol-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide?
3-(1H-benzimidazol-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide has a molecular weight of 288.35 g/mol, XLogP of 0.19, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]propanamide is sourced from PubChem (CID 120943172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).