tert-butyl N-[1-[(6-fluoro-1-methylbenzimidazol-2-yl)carbamoyl]cyclopropyl]carbamate

C17H21FN4O3 — CID 155949012

IUPACtert-butyl N-[1-[(6-fluoro-1-methylbenzimidazol-2-yl)carbamoyl]cyclopropyl]carbamate
SMILESCn1c(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)nc2ccc(F)cc21
InChIInChI=1S/C17H21FN4O3/c1-16(2,3)25-15(24)21-17(7-8-17)13(23)20-14-19-11-6-5-10(18)9-12(11)22(14)4/h5-6,9H,7-8H2,1-4H3,(H,21,24)(H,19,20,23)
InChIKeyHJMMNRFWHNNWGN-UHFFFAOYSA-N
MW348.38 g/mol
LogP2.71
Rot. Bonds3

About tert-butyl N-[1-[(6-fluoro-1-methylbenzimidazol-2-yl)carbamoyl]cyclopropyl]carbamate

tert-butyl N-[1-[(6-fluoro-1-methylbenzimidazol-2-yl)carbamoyl]cyclopropyl]carbamate (PubChem CID 155949012) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is tert-butyl N-[1-[(6-fluoro-1-methylbenzimidazol-2-yl)carbamoyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(6-fluoro-1-methylbenzimidazol-2-yl)carbamoyl]cyclopropyl]carbamate
PubChem CID155949012
Molecular FormulaC17H21FN4O3
Molecular Weight348.38 g/mol
Exact Mass348.16
IUPAC Nametert-butyl N-[1-[(6-fluoro-1-methylbenzimidazol-2-yl)carbamoyl]cyclopropyl]carbamate
SMILESCn1c(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)nc2ccc(F)cc21
InChIInChI=1S/C17H21FN4O3/c1-16(2,3)25-15(24)21-17(7-8-17)13(23)20-14-19-11-6-5-10(18)9-12(11)22(14)4/h5-6,9H,7-8H2,1-4H3,(H,21,24)(H,19,20,23)
InChIKeyHJMMNRFWHNNWGN-UHFFFAOYSA-N
XLogP2.71
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(6-fluoro-1-methylbenzimidazol-2-yl)carbamoyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(6-fluoro-1-methylbenzimidazol-2-yl)carbamoyl]cyclopropyl]carbamate (CID 155949012) is tert-butyl N-[1-[(6-fluoro-1-methylbenzimidazol-2-yl)carbamoyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(6-fluoro-1-methylbenzimidazol-2-yl)carbamoyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(6-fluoro-1-methylbenzimidazol-2-yl)carbamoyl]cyclopropyl]carbamate is Cn1c(NC(=O)C2(NC(=O)OC(C)(C)C)CC2)nc2ccc(F)cc21.
What is the InChIKey of tert-butyl N-[1-[(6-fluoro-1-methylbenzimidazol-2-yl)carbamoyl]cyclopropyl]carbamate?
The InChIKey is HJMMNRFWHNNWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-16(2,3)25-15(24)21-17(7-8-17)13(23)20-14-19-11-6-5-10(18)9-12(11)22(14)4/h5-6,9H,7-8H2,1-4H3,(H,21,24)(H,19,20,23).
What are the key properties of tert-butyl N-[1-[(6-fluoro-1-methylbenzimidazol-2-yl)carbamoyl]cyclopropyl]carbamate?
tert-butyl N-[1-[(6-fluoro-1-methylbenzimidazol-2-yl)carbamoyl]cyclopropyl]carbamate has a molecular weight of 348.38 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(6-fluoro-1-methylbenzimidazol-2-yl)carbamoyl]cyclopropyl]carbamate is sourced from PubChem (CID 155949012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).