tert-butyl N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate

C19H28N4O3 — CID 67747066

IUPACtert-butyl N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCCC(C)C(NC(=O)OC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H28N4O3/c1-6-12(2)16(23-18(25)26-19(3,4)5)17(24)20-11-15-21-13-9-7-8-10-14(13)22-15/h7-10,12,16H,6,11H2,1-5H3,(H,20,24)(H,21,22)(H,23,25)
InChIKeyBTGFSRXMYSULHS-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.12
Rot. Bonds6

About tert-butyl N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate

tert-butyl N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate (PubChem CID 67747066) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is tert-butyl N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate
PubChem CID67747066
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Nametert-butyl N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate
SMILESCCC(C)C(NC(=O)OC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C19H28N4O3/c1-6-12(2)16(23-18(25)26-19(3,4)5)17(24)20-11-15-21-13-9-7-8-10-14(13)22-15/h7-10,12,16H,6,11H2,1-5H3,(H,20,24)(H,21,22)(H,23,25)
InChIKeyBTGFSRXMYSULHS-UHFFFAOYSA-N
XLogP3.12
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(E,2S,3S,5R)-5-[[(2S,3S)-1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamoyl]-3-hydroxy-1,8-diphenyloct-7-en-2-yl]carbamate
CID 5327470
tert-butyl N-[2-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]phenyl]carbamate
CID 146022175
(2S,3S)-2-(1H-benzimidazol-2-ylmethylamino)-3-methylpentanamide;dihydrochloride
CID 70049399
(2S)-3-(1H-benzimidazol-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 15176993
ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
CID 18590006
tert-butyl N-[4-(1H-benzimidazol-2-ylmethylamino)butan-2-yl]-N-methylcarbamate
CID 57116484
N-(1H-benzimidazol-2-ylmethyl)-2-methylsulfonylpropanamide
CID 112684952
N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 78769855
tert-butyl N-[(3S)-1-(2-acetylanilino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 167063153
tert-butyl N-[(2S,3S)-3-methyl-1-oxo-1-phenylpentan-2-yl]carbamate
CID 11098288
tert-butyl N-[(2S,3S)-1-[dimethyl(phenyl)silyl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 10760266
tert-butyl N-[1-(butylamino)-3-methyl-1-oxopentan-2-yl]carbamate
CID 89203370

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate (CID 67747066) is tert-butyl N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate is CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of tert-butyl N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate?
The InChIKey is BTGFSRXMYSULHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-6-12(2)16(23-18(25)26-19(3,4)5)17(24)20-11-15-21-13-9-7-8-10-14(13)22-15/h7-10,12,16H,6,11H2,1-5H3,(H,20,24)(H,21,22)(H,23,25).
What are the key properties of tert-butyl N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate?
tert-butyl N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate has a molecular weight of 360.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1H-benzimidazol-2-ylmethylamino)-3-methyl-1-oxopentan-2-yl]carbamate is sourced from PubChem (CID 67747066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).