tert-butyl N-[2-(4-methyl-1-phenylbenzimidazol-2-yl)ethyl]carbamate

C21H25N3O2 — CID 123773332

IUPACtert-butyl N-[2-(4-methyl-1-phenylbenzimidazol-2-yl)ethyl]carbamate
SMILESCc1cccc2c1nc(CCNC(=O)OC(C)(C)C)n2-c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-15-9-8-12-17-19(15)23-18(24(17)16-10-6-5-7-11-16)13-14-22-20(25)26-21(2,3)4/h5-12H,13-14H2,1-4H3,(H,22,25)
InChIKeyKNKCFHCYFZJHBG-UHFFFAOYSA-N
MW351.45 g/mol
LogP4.40
Rot. Bonds4

About tert-butyl N-[2-(4-methyl-1-phenylbenzimidazol-2-yl)ethyl]carbamate

tert-butyl N-[2-(4-methyl-1-phenylbenzimidazol-2-yl)ethyl]carbamate (PubChem CID 123773332) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is tert-butyl N-[2-(4-methyl-1-phenylbenzimidazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-methyl-1-phenylbenzimidazol-2-yl)ethyl]carbamate
PubChem CID123773332
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Nametert-butyl N-[2-(4-methyl-1-phenylbenzimidazol-2-yl)ethyl]carbamate
SMILESCc1cccc2c1nc(CCNC(=O)OC(C)(C)C)n2-c1ccccc1
InChIInChI=1S/C21H25N3O2/c1-15-9-8-12-17-19(15)23-18(24(17)16-10-6-5-7-11-16)13-14-22-20(25)26-21(2,3)4/h5-12H,13-14H2,1-4H3,(H,22,25)
InChIKeyKNKCFHCYFZJHBG-UHFFFAOYSA-N
XLogP4.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-methyl-1-phenylbenzimidazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-methyl-1-phenylbenzimidazol-2-yl)ethyl]carbamate (CID 123773332) is tert-butyl N-[2-(4-methyl-1-phenylbenzimidazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-methyl-1-phenylbenzimidazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-methyl-1-phenylbenzimidazol-2-yl)ethyl]carbamate is Cc1cccc2c1nc(CCNC(=O)OC(C)(C)C)n2-c1ccccc1.
What is the InChIKey of tert-butyl N-[2-(4-methyl-1-phenylbenzimidazol-2-yl)ethyl]carbamate?
The InChIKey is KNKCFHCYFZJHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-9-8-12-17-19(15)23-18(24(17)16-10-6-5-7-11-16)13-14-22-20(25)26-21(2,3)4/h5-12H,13-14H2,1-4H3,(H,22,25).
What are the key properties of tert-butyl N-[2-(4-methyl-1-phenylbenzimidazol-2-yl)ethyl]carbamate?
tert-butyl N-[2-(4-methyl-1-phenylbenzimidazol-2-yl)ethyl]carbamate has a molecular weight of 351.45 g/mol, XLogP of 4.40, 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-methyl-1-phenylbenzimidazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 123773332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).