tert-butyl N-[cyclopentyl-(6-ethenyl-5-methoxy-1H-benzimidazol-2-yl)methyl]carbamate

C21H29N3O3 — CID 130405219

IUPACtert-butyl N-[cyclopentyl-(6-ethenyl-5-methoxy-1H-benzimidazol-2-yl)methyl]carbamate
SMILESC=Cc1cc2[nH]c(C(NC(=O)OC(C)(C)C)C3CCCC3)nc2cc1OC
InChIInChI=1S/C21H29N3O3/c1-6-13-11-15-16(12-17(13)26-5)23-19(22-15)18(14-9-7-8-10-14)24-20(25)27-21(2,3)4/h6,11-12,14,18H,1,7-10H2,2-5H3,(H,22,23)(H,24,25)
InChIKeyGGFVYQJTDDSWCN-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.97
Rot. Bonds5

About tert-butyl N-[cyclopentyl-(6-ethenyl-5-methoxy-1H-benzimidazol-2-yl)methyl]carbamate

tert-butyl N-[cyclopentyl-(6-ethenyl-5-methoxy-1H-benzimidazol-2-yl)methyl]carbamate (PubChem CID 130405219) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is tert-butyl N-[cyclopentyl-(6-ethenyl-5-methoxy-1H-benzimidazol-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[cyclopentyl-(6-ethenyl-5-methoxy-1H-benzimidazol-2-yl)methyl]carbamate
PubChem CID130405219
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Nametert-butyl N-[cyclopentyl-(6-ethenyl-5-methoxy-1H-benzimidazol-2-yl)methyl]carbamate
SMILESC=Cc1cc2[nH]c(C(NC(=O)OC(C)(C)C)C3CCCC3)nc2cc1OC
InChIInChI=1S/C21H29N3O3/c1-6-13-11-15-16(12-17(13)26-5)23-19(22-15)18(14-9-7-8-10-14)24-20(25)27-21(2,3)4/h6,11-12,14,18H,1,7-10H2,2-5H3,(H,22,23)(H,24,25)
InChIKeyGGFVYQJTDDSWCN-UHFFFAOYSA-N
XLogP4.97
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[cyclopentyl-(6-formyl-5-methoxy-1H-benzimidazol-2-yl)methyl]carbamate
CID 130405254
tert-butyl N-[2-cyclopentyl-1-(6-ethenyl-5-methoxy-1H-benzimidazol-2-yl)ethyl]carbamate
CID 118864425
tert-butyl N-[(1S)-2-cyclopropyl-1-[6-[6-[2-[(1S)-2-cyclopropyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3H-benzimidazol-5-yl]-1,5-naphthyridin-2-yl]-1H-benzimidazol-2-yl]ethyl]carbamate
CID 118234237
tert-butyl N-[(1R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]carbamate
CID 70920856
methyl 2-cyclopentyl-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acetate
CID 115926140
tert-butyl N-[1-(6-methyl-1H-benzimidazol-2-yl)ethyl]carbamate
CID 69315401
tert-butyl N-[[5-[cyano(pyridin-4-yl)methyl]-4-fluoro-1H-benzimidazol-2-yl]-cyclooctylmethyl]carbamate
CID 142620669
tert-butyl N-[(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethyl]carbamate
CID 131748686
tert-butyl N-[1-[2-(3-ethenyl-4-methoxyphenyl)acetyl]piperidin-4-yl]carbamate
CID 176516177
tert-butyl N-[(1R,2R)-1-(6-bromo-1H-benzimidazol-2-yl)-2-methoxypropyl]carbamate
CID 86699027
tert-butyl N-[(1R)-1-(6-chloro-1H-benzimidazol-2-yl)-2-methoxyethyl]carbamate
CID 67048287
tert-butyl N-[1-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]ethyl]carbamate
CID 70229286

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[cyclopentyl-(6-ethenyl-5-methoxy-1H-benzimidazol-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[cyclopentyl-(6-ethenyl-5-methoxy-1H-benzimidazol-2-yl)methyl]carbamate (CID 130405219) is tert-butyl N-[cyclopentyl-(6-ethenyl-5-methoxy-1H-benzimidazol-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[cyclopentyl-(6-ethenyl-5-methoxy-1H-benzimidazol-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[cyclopentyl-(6-ethenyl-5-methoxy-1H-benzimidazol-2-yl)methyl]carbamate is C=Cc1cc2[nH]c(C(NC(=O)OC(C)(C)C)C3CCCC3)nc2cc1OC.
What is the InChIKey of tert-butyl N-[cyclopentyl-(6-ethenyl-5-methoxy-1H-benzimidazol-2-yl)methyl]carbamate?
The InChIKey is GGFVYQJTDDSWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-6-13-11-15-16(12-17(13)26-5)23-19(22-15)18(14-9-7-8-10-14)24-20(25)27-21(2,3)4/h6,11-12,14,18H,1,7-10H2,2-5H3,(H,22,23)(H,24,25).
What are the key properties of tert-butyl N-[cyclopentyl-(6-ethenyl-5-methoxy-1H-benzimidazol-2-yl)methyl]carbamate?
tert-butyl N-[cyclopentyl-(6-ethenyl-5-methoxy-1H-benzimidazol-2-yl)methyl]carbamate has a molecular weight of 371.48 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[cyclopentyl-(6-ethenyl-5-methoxy-1H-benzimidazol-2-yl)methyl]carbamate is sourced from PubChem (CID 130405219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).