N-(oxan-4-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide

C18H28N4O2 — CID 128983427

IUPACN-(oxan-4-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1c1nc2c([nH]1)CCCC2)NC1CCOCC1
InChIInChI=1S/C18H28N4O2/c23-17(19-13-7-10-24-11-8-13)12-22-9-3-6-16(22)18-20-14-4-1-2-5-15(14)21-18/h13,16H,1-12H2,(H,19,23)(H,20,21)
InChIKeyKCPYDVWESMOPLQ-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.72
Rot. Bonds4

About N-(oxan-4-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide

N-(oxan-4-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 128983427) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
PubChem CID128983427
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-(oxan-4-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCCC1c1nc2c([nH]1)CCCC2)NC1CCOCC1
InChIInChI=1S/C18H28N4O2/c23-17(19-13-7-10-24-11-8-13)12-22-9-3-6-16(22)18-20-14-4-1-2-5-15(14)21-18/h13,16H,1-12H2,(H,19,23)(H,20,21)
InChIKeyKCPYDVWESMOPLQ-UHFFFAOYSA-N
XLogP1.72
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 128983523
1-morpholin-4-yl-3-[(2S)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propan-1-one
CID 129336669
N-(2,5-dimethylpyrazol-3-yl)-2-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 129477439
1-[2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetyl]imidazolidin-2-one;hydroiodide
CID 154764432
2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 78942440
N,N-bis(2-cyanoethyl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide
CID 128983479
2-[(2S)-2-(1H-indol-2-yl)piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 95324295
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-4,5,6,7-tetrahydro-1H-benzimidazole
CID 128979700
N-methyl-3-[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]propane-1-sulfonamide
CID 129339520
N-methyl-3-[[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzamide
CID 128973937
2-ethyl-5-[[(2R)-2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 129477813
2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 129323249

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(oxan-4-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide (CID 128983427) is N-(oxan-4-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(oxan-4-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(oxan-4-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide is O=C(CN1CCCC1c1nc2c([nH]1)CCCC2)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is KCPYDVWESMOPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-17(19-13-7-10-24-11-8-13)12-22-9-3-6-16(22)18-20-14-4-1-2-5-15(14)21-18/h13,16H,1-12H2,(H,19,23)(H,20,21).
What are the key properties of N-(oxan-4-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide?
N-(oxan-4-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 332.45 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-[2-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 128983427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).