2-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate

C13H17N3O2 — CID 113220506

IUPAC2-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate
SMILESCC(C)COC(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H17N3O2/c1-9(2)8-18-13(17)14-7-12-15-10-5-3-4-6-11(10)16-12/h3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyNHTGFKNVSMCGOB-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.45
Rot. Bonds4

About 2-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate

2-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate (PubChem CID 113220506) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate.

Molecular Properties

Compound Name2-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate
PubChem CID113220506
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate
SMILESCC(C)COC(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H17N3O2/c1-9(2)8-18-13(17)14-7-12-15-10-5-3-4-6-11(10)16-12/h3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyNHTGFKNVSMCGOB-UHFFFAOYSA-N
XLogP2.45
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(1H-benzimidazol-2-ylmethyl)carbamate
CID 18590006
N-(1H-benzimidazol-2-ylmethyl)-2-methylsulfonylpropanamide
CID 112684952
(2S,3S)-2-(1H-benzimidazol-2-ylmethylamino)-3-methylpentanamide;dihydrochloride
CID 70049399
(E)-N-(1H-benzimidazol-2-ylmethyl)but-2-enamide
CID 71627908
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
ethyl 4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutanoate
CID 78910859
2-[[5-(1H-benzimidazol-2-ylmethylcarbamoyl)thiophene-2-carbonyl]amino]propanoic acid
CID 154427814
1H-benzimidazol-2-ylmethyl N-(hydroxymethyl)carbamate;yttrium
CID 171659142
1-(1H-benzimidazol-2-ylmethyl)-3-propylurea
CID 47120671
3-(1H-benzimidazol-2-ylmethyl)-1,1-diethylurea
CID 113223965
N-(1H-benzimidazol-2-ylmethyl)-3-methoxy-5-(2-methylpropyl)-6-oxo-1H-pyrazine-2-carboxamide
CID 57107842
N-(1H-benzimidazol-2-ylmethyl)propan-2-amine;dihydrochloride
CID 56773634

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate?
The IUPAC name of 2-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate (CID 113220506) is 2-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate.
What is the SMILES notation for 2-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate?
The canonical SMILES for 2-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate is CC(C)COC(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate?
The InChIKey is NHTGFKNVSMCGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(2)8-18-13(17)14-7-12-15-10-5-3-4-6-11(10)16-12/h3-6,9H,7-8H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 2-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate?
2-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate has a molecular weight of 247.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl N-(1H-benzimidazol-2-ylmethyl)carbamate is sourced from PubChem (CID 113220506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).