propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate

C13H17N3O2 — CID 62668799

IUPACpropan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate
SMILESCC(C)OC(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H17N3O2/c1-8(2)18-13(17)14-9(3)12-15-10-6-4-5-7-11(10)16-12/h4-9H,1-3H3,(H,14,17)(H,15,16)
InChIKeyZSQHCLOSSOHWPT-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.76
Rot. Bonds3

About propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate

propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate (PubChem CID 62668799) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate
PubChem CID62668799
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Namepropan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate
SMILESCC(C)OC(=O)NC(C)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H17N3O2/c1-8(2)18-13(17)14-9(3)12-15-10-6-4-5-7-11(10)16-12/h4-9H,1-3H3,(H,14,17)(H,15,16)
InChIKeyZSQHCLOSSOHWPT-UHFFFAOYSA-N
XLogP2.76
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 7060732
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2,2-dimethylpropanamide
CID 751239
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
2-amino-N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methylpropanamide
CID 110460891
(3R)-N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-3-phenylbutanamide
CID 41083085
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 25345580
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 18116312
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-4-chlorobenzamide
CID 920428
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-propylpentanamide
CID 115532400

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate?
The IUPAC name of propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate (CID 62668799) is propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate?
The canonical SMILES for propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate is CC(C)OC(=O)NC(C)c1nc2ccccc2[nH]1.
What is the InChIKey of propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate?
The InChIKey is ZSQHCLOSSOHWPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8(2)18-13(17)14-9(3)12-15-10-6-4-5-7-11(10)16-12/h4-9H,1-3H3,(H,14,17)(H,15,16).
What are the key properties of propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate?
propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate has a molecular weight of 247.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-(1H-benzimidazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 62668799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).