4-(benzimidazol-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide

C19H20N4O2 — CID 120948973

IUPAC4-(benzimidazol-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CNCC1O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C19H20N4O2/c24-18-11-20-9-14(18)10-21-19(25)13-5-7-15(8-6-13)23-12-22-16-3-1-2-4-17(16)23/h1-8,12,14,18,20,24H,9-11H2,(H,21,25)
InChIKeyKHHAPXYYIABEDD-UHFFFAOYSA-N
MW336.39 g/mol
LogP1.34
Rot. Bonds4

About 4-(benzimidazol-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide

4-(benzimidazol-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide (PubChem CID 120948973) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
PubChem CID120948973
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name4-(benzimidazol-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
SMILESO=C(NCC1CNCC1O)c1ccc(-n2cnc3ccccc32)cc1
InChIInChI=1S/C19H20N4O2/c24-18-11-20-9-14(18)10-21-19(25)13-5-7-15(8-6-13)23-12-22-16-3-1-2-4-17(16)23/h1-8,12,14,18,20,24H,9-11H2,(H,21,25)
InChIKeyKHHAPXYYIABEDD-UHFFFAOYSA-N
XLogP1.34
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The IUPAC name of 4-(benzimidazol-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide (CID 120948973) is 4-(benzimidazol-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(benzimidazol-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The canonical SMILES for 4-(benzimidazol-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide is O=C(NCC1CNCC1O)c1ccc(-n2cnc3ccccc32)cc1.
What is the InChIKey of 4-(benzimidazol-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
The InChIKey is KHHAPXYYIABEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-18-11-20-9-14(18)10-21-19(25)13-5-7-15(8-6-13)23-12-22-16-3-1-2-4-17(16)23/h1-8,12,14,18,20,24H,9-11H2,(H,21,25).
What are the key properties of 4-(benzimidazol-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide?
4-(benzimidazol-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide has a molecular weight of 336.39 g/mol, XLogP of 1.34, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide is sourced from PubChem (CID 120948973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).