tert-butyl N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]carbamate

C14H23N3O2 — CID 113081665

IUPACtert-butyl N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]carbamate
SMILESCn1c(CNC(=O)OC(C)(C)C)nc2c1CCCC2
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)15-9-12-16-10-7-5-6-8-11(10)17(12)4/h5-9H2,1-4H3,(H,15,18)
InChIKeyXDVARLDCKMZHME-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.32
Rot. Bonds2

About tert-butyl N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]carbamate

tert-butyl N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]carbamate (PubChem CID 113081665) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]carbamate
PubChem CID113081665
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]carbamate
SMILESCn1c(CNC(=O)OC(C)(C)C)nc2c1CCCC2
InChIInChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)15-9-12-16-10-7-5-6-8-11(10)17(12)4/h5-9H2,1-4H3,(H,15,18)
InChIKeyXDVARLDCKMZHME-UHFFFAOYSA-N
XLogP2.32
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3,4-trifluoro-N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]benzamide
CID 113081654
tert-butyl N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)carbamate
CID 91816981
tert-butyl N-[2-(2-pyrrolidin-1-ylethylamino)ethyl]carbamate
CID 19420462
tert-butyl N-[(2-methyltetrazol-5-yl)methyl]carbamate
CID 45092164
tert-butyl N-[2-(5,6,7,8,9,10-hexahydrocycloocta[d]pyrimidin-2-ylamino)ethyl]carbamate
CID 103278697
tert-butyl N-[2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)ethyl]carbamate
CID 114518201
tert-butyl N-[(5-bromo-1-methyl-4-phenoxybenzimidazol-2-yl)methyl]carbamate
CID 118103543
tert-butyl N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]carbamate
CID 2823520
tert-butyl N-[(2-methylindazol-5-yl)methyl]carbamate
CID 155896192
tert-butyl N-[(1R)-1-(4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethyl]carbamate
CID 102970025
CID 123368728
CID 123368728
2-(2,5-dioxopyrrolidin-1-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 169324201

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]carbamate (CID 113081665) is tert-butyl N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]carbamate is Cn1c(CNC(=O)OC(C)(C)C)nc2c1CCCC2.
What is the InChIKey of tert-butyl N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]carbamate?
The InChIKey is XDVARLDCKMZHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)15-9-12-16-10-7-5-6-8-11(10)17(12)4/h5-9H2,1-4H3,(H,15,18).
What are the key properties of tert-butyl N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]carbamate?
tert-butyl N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]carbamate has a molecular weight of 265.36 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1-methyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]carbamate is sourced from PubChem (CID 113081665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).