1-[2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one;hydroiodide

C16H24IN5O2 — CID 154764432

IUPAC1-[2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one;hydroiodide
SMILESI.O=C(CN1CCCC1c1nc2c([nH]1)CCCC2)N1CCNC1=O
InChIInChI=1S/C16H23N5O2.HI/c22-14(21-9-7-17-16(21)23)10-20-8-3-6-13(20)15-18-11-4-1-2-5-12(11)19-15;/h13H,1-10H2,(H,17,23)(H,18,19);1H
InChIKeyGMCBUUZJGHWIFH-UHFFFAOYSA-N
MW445.31 g/mol
LogP1.60
Rot. Bonds3

About 1-[2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one;hydroiodide

1-[2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one;hydroiodide (PubChem CID 154764432) has the molecular formula C16H24IN5O2 and a molecular weight of 445.31 g/mol. Its IUPAC name is 1-[2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one;hydroiodide.

Molecular Properties

Compound Name1-[2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one;hydroiodide
PubChem CID154764432
Molecular FormulaC16H24IN5O2
Molecular Weight445.31 g/mol
Exact Mass445.10
IUPAC Name1-[2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one;hydroiodide
SMILESI.O=C(CN1CCCC1c1nc2c([nH]1)CCCC2)N1CCNC1=O
InChIInChI=1S/C16H23N5O2.HI/c22-14(21-9-7-17-16(21)23)10-20-8-3-6-13(20)15-18-11-4-1-2-5-12(11)19-15;/h13H,1-10H2,(H,17,23)(H,18,19);1H
InChIKeyGMCBUUZJGHWIFH-UHFFFAOYSA-N
XLogP1.60
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.31
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one;hydroiodide?
The IUPAC name of 1-[2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one;hydroiodide (CID 154764432) is 1-[2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one;hydroiodide.
What is the SMILES notation for 1-[2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one;hydroiodide?
The canonical SMILES for 1-[2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one;hydroiodide is I.O=C(CN1CCCC1c1nc2c([nH]1)CCCC2)N1CCNC1=O.
What is the InChIKey of 1-[2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one;hydroiodide?
The InChIKey is GMCBUUZJGHWIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2.HI/c22-14(21-9-7-17-16(21)23)10-20-8-3-6-13(20)15-18-11-4-1-2-5-12(11)19-15;/h13H,1-10H2,(H,17,23)(H,18,19);1H.
What are the key properties of 1-[2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one;hydroiodide?
1-[2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one;hydroiodide has a molecular weight of 445.31 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one;hydroiodide is sourced from PubChem (CID 154764432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).