(3-methyloxetan-3-yl)methyl 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylate

C18H22N2O4 — CID 95905270

IUPAC(3-methyloxetan-3-yl)methyl 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylate
SMILESCC1(COC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)COC1
InChIInChI=1S/C18H22N2O4/c1-18(9-23-10-18)11-24-16(21)12-6-7-15-14(8-12)19-17(22)20(15)13-4-2-3-5-13/h6-8,13H,2-5,9-11H2,1H3,(H,19,22)
InChIKeyBUFLAUQWGCHYSN-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.64
Rot. Bonds4

About (3-methyloxetan-3-yl)methyl 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylate

(3-methyloxetan-3-yl)methyl 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylate (PubChem CID 95905270) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is (3-methyloxetan-3-yl)methyl 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylate.

Molecular Properties

Compound Name(3-methyloxetan-3-yl)methyl 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylate
PubChem CID95905270
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name(3-methyloxetan-3-yl)methyl 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylate
SMILESCC1(COC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)COC1
InChIInChI=1S/C18H22N2O4/c1-18(9-23-10-18)11-24-16(21)12-6-7-15-14(8-12)19-17(22)20(15)13-4-2-3-5-13/h6-8,13H,2-5,9-11H2,1H3,(H,19,22)
InChIKeyBUFLAUQWGCHYSN-UHFFFAOYSA-N
XLogP2.64
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
1-cyclopentyl-N-(cyclopropylmethyl)-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 71880640
6-[3-(aminomethyl)pyrrolidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one
CID 119486752
3-cyclopropyl-6-[2-(methylamino)acetyl]-1H-benzimidazol-2-one
CID 117365069
N-(3-amino-4-methylpentyl)-1-cyclopentyl-N-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 119660783
N,1-dicyclohexyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 3232123
1-cyclopentyl-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 120887120
2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylpentanoic acid
CID 119212122
6-[4-(1-aminoethyl)piperidine-1-carbonyl]-3-cyclopentyl-1H-benzimidazol-2-one;hydrochloride
CID 119520393
3-cyclopentyl-6-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-benzimidazol-2-one
CID 119398391
3-cyclopentyl-6-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1H-benzimidazol-2-one
CID 119638825
(2R)-2-[(1-cyclopentyl-2-oxo-3H-benzimidazole-5-carbonyl)amino]-3-methylbutanoic acid
CID 119368330

Frequently Asked Questions

What is the IUPAC name of (3-methyloxetan-3-yl)methyl 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylate?
The IUPAC name of (3-methyloxetan-3-yl)methyl 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylate (CID 95905270) is (3-methyloxetan-3-yl)methyl 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylate.
What is the SMILES notation for (3-methyloxetan-3-yl)methyl 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylate?
The canonical SMILES for (3-methyloxetan-3-yl)methyl 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylate is CC1(COC(=O)c2ccc3c(c2)[nH]c(=O)n3C2CCCC2)COC1.
What is the InChIKey of (3-methyloxetan-3-yl)methyl 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylate?
The InChIKey is BUFLAUQWGCHYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-18(9-23-10-18)11-24-16(21)12-6-7-15-14(8-12)19-17(22)20(15)13-4-2-3-5-13/h6-8,13H,2-5,9-11H2,1H3,(H,19,22).
What are the key properties of (3-methyloxetan-3-yl)methyl 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylate?
(3-methyloxetan-3-yl)methyl 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyloxetan-3-yl)methyl 1-cyclopentyl-2-oxo-3H-benzimidazole-5-carboxylate is sourced from PubChem (CID 95905270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).