tert-butyl N-[2-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]carbamate

C18H24FN3O2 — CID 123697961

IUPACtert-butyl N-[2-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nc2ccc(F)cc2n1CC1CC1
InChIInChI=1S/C18H24FN3O2/c1-18(2,3)24-17(23)20-9-8-16-21-14-7-6-13(19)10-15(14)22(16)11-12-4-5-12/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,23)
InChIKeyUIUAMCSCWUKYNC-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.65
Rot. Bonds5

About tert-butyl N-[2-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]carbamate

tert-butyl N-[2-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]carbamate (PubChem CID 123697961) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]carbamate
PubChem CID123697961
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Nametert-butyl N-[2-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCc1nc2ccc(F)cc2n1CC1CC1
InChIInChI=1S/C18H24FN3O2/c1-18(2,3)24-17(23)20-9-8-16-21-14-7-6-13(19)10-15(14)22(16)11-12-4-5-12/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,23)
InChIKeyUIUAMCSCWUKYNC-UHFFFAOYSA-N
XLogP3.65
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]carbamate
CID 91107429
2-(cyclopropylmethylamino)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]acetamide;dihydrochloride
CID 119883563
tert-butyl N-[2-[3-(3,5-difluorophenyl)-6-fluoro-4-oxoquinazolin-2-yl]ethyl]carbamate
CID 90238280
tert-butyl N-[3-(6-fluoro-1-pyridin-2-ylbenzimidazol-2-yl)propyl]carbamate
CID 123741039
2-[6-chloro-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzimidazol-1-yl]ethyl 4-methylbenzenesulfonate
CID 13015892
2-[6-bromo-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzimidazol-1-yl]ethyl 4-methylbenzenesulfonate
CID 59442867
1-(cyclopropylmethyl)-6-fluoro-2-propan-2-ylbenzimidazole
CID 58459395
2,2-dichloro-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-methylcyclopropane-1-carboxamide
CID 56804714
2-[2-(cyclopentanecarbonylamino)ethyl]-1-(cyclopropylmethyl)benzimidazole-5-carboxylic acid
CID 42817396
(2R,3R)-N-[2-(6-fluoro-1-methylbenzimidazol-2-yl)ethyl]-2-propan-2-yloxane-3-carboxamide
CID 129492650
3-ethyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzimidazole-5-carboxylic acid
CID 134560810
tert-butyl N-[(2R)-4-[1-(cyclohexylmethyl)-5,6-dimethylbenzimidazol-2-yl]-1-oxo-1-(trityloxyamino)butan-2-yl]carbamate
CID 86620526

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]carbamate (CID 123697961) is tert-butyl N-[2-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCc1nc2ccc(F)cc2n1CC1CC1.
What is the InChIKey of tert-butyl N-[2-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]carbamate?
The InChIKey is UIUAMCSCWUKYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-18(2,3)24-17(23)20-9-8-16-21-14-7-6-13(19)10-15(14)22(16)11-12-4-5-12/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,20,23).
What are the key properties of tert-butyl N-[2-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]carbamate?
tert-butyl N-[2-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]carbamate has a molecular weight of 333.41 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(cyclopropylmethyl)-6-fluorobenzimidazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 123697961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).