tert-butyl N-[2-(4,8-difluoro-6-formyl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)ethyl]-N-methylcarbamate

C19H23F2N3O3 — CID 167514909

IUPACtert-butyl N-[2-(4,8-difluoro-6-formyl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)ethyl]-N-methylcarbamate
SMILESCN(CCc1nc2c(F)c3c(c(F)c2[nH]1)CC(C=O)C3)C(=O)OC(C)(C)C
InChIInChI=1S/C19H23F2N3O3/c1-19(2,3)27-18(26)24(4)6-5-13-22-16-14(20)11-7-10(9-25)8-12(11)15(21)17(16)23-13/h9-10H,5-8H2,1-4H3,(H,22,23)
InChIKeyRHRFLVCOYCYBOU-UHFFFAOYSA-N
MW379.41 g/mol
LogP3.16
Rot. Bonds4

About tert-butyl N-[2-(4,8-difluoro-6-formyl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)ethyl]-N-methylcarbamate

tert-butyl N-[2-(4,8-difluoro-6-formyl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)ethyl]-N-methylcarbamate (PubChem CID 167514909) has the molecular formula C19H23F2N3O3 and a molecular weight of 379.41 g/mol. Its IUPAC name is tert-butyl N-[2-(4,8-difluoro-6-formyl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)ethyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4,8-difluoro-6-formyl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)ethyl]-N-methylcarbamate
PubChem CID167514909
Molecular FormulaC19H23F2N3O3
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC Nametert-butyl N-[2-(4,8-difluoro-6-formyl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)ethyl]-N-methylcarbamate
SMILESCN(CCc1nc2c(F)c3c(c(F)c2[nH]1)CC(C=O)C3)C(=O)OC(C)(C)C
InChIInChI=1S/C19H23F2N3O3/c1-19(2,3)27-18(26)24(4)6-5-13-22-16-14(20)11-7-10(9-25)8-12(11)15(21)17(16)23-13/h9-10H,5-8H2,1-4H3,(H,22,23)
InChIKeyRHRFLVCOYCYBOU-UHFFFAOYSA-N
XLogP3.16
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-[2-(4,8-difluoro-6-formyl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)ethyl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(4,8-difluoro-6-formyl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)methyl]-N-methylcarbamate
CID 167514935
tert-butyl N-[2-(4,8-difluoro-6-formyl-6,7-dihydro-5H-cyclopenta[f]benzotriazol-2-yl)ethyl]-N-methylcarbamate
CID 167514669
tert-butyl N-[(5-fluoro-7-formyl-3,6,7,8-tetrahydrocyclopenta[e]benzimidazol-2-yl)methyl]-N-methylcarbamate
CID 167515004
tert-butyl N-[(1S)-4-amino-1-(4,8-difluoro-6-formyl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-4-oxobutyl]carbamate
CID 167514728
methyl 2-[(4-formylcyclohexyl)-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]amino]acetate
CID 118704818
tert-butyl N-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]carbamate
CID 122492608
2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]pyrimidine-5-carboxylic acid
CID 165463164
tert-butyl N-[2-[1H-benzimidazol-2-ylmethyl(methyl)amino]ethyl]-N-methylcarbamate
CID 54238697
tert-butyl N-[1-[(8-fluoro-6-formyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-2-yl)methylamino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 175571962
tert-butyl N-[2-[(5S,6R)-5,6-dihydroxycyclohexen-1-yl]ethyl]-N-methylcarbamate
CID 44549440
tert-butyl N-[2-(4-fluoro-N-methylanilino)-2-oxoethyl]-N-methylcarbamate
CID 162689282
tert-butyl N-methyl-N-(2-piperidin-4-yloxyethyl)carbamate
CID 176578445

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4,8-difluoro-6-formyl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)ethyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[2-(4,8-difluoro-6-formyl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)ethyl]-N-methylcarbamate (CID 167514909) is tert-butyl N-[2-(4,8-difluoro-6-formyl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)ethyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[2-(4,8-difluoro-6-formyl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)ethyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[2-(4,8-difluoro-6-formyl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)ethyl]-N-methylcarbamate is CN(CCc1nc2c(F)c3c(c(F)c2[nH]1)CC(C=O)C3)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(4,8-difluoro-6-formyl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)ethyl]-N-methylcarbamate?
The InChIKey is RHRFLVCOYCYBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O3/c1-19(2,3)27-18(26)24(4)6-5-13-22-16-14(20)11-7-10(9-25)8-12(11)15(21)17(16)23-13/h9-10H,5-8H2,1-4H3,(H,22,23).
What are the key properties of tert-butyl N-[2-(4,8-difluoro-6-formyl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)ethyl]-N-methylcarbamate?
tert-butyl N-[2-(4,8-difluoro-6-formyl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)ethyl]-N-methylcarbamate has a molecular weight of 379.41 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4,8-difluoro-6-formyl-3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)ethyl]-N-methylcarbamate is sourced from PubChem (CID 167514909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).