propan-2-yl N-(6-butyl-1H-benzimidazol-2-yl)carbamate

C15H21N3O2 — CID 163361730

IUPACpropan-2-yl N-(6-butyl-1H-benzimidazol-2-yl)carbamate
SMILESCCCCc1ccc2nc(NC(=O)OC(C)C)[nH]c2c1
InChIInChI=1S/C15H21N3O2/c1-4-5-6-11-7-8-12-13(9-11)17-14(16-12)18-15(19)20-10(2)3/h7-10H,4-6H2,1-3H3,(H2,16,17,18,19)
InChIKeyTXUNNYAAJSYYGI-UHFFFAOYSA-N
MW275.35 g/mol
LogP3.86
Rot. Bonds5

About propan-2-yl N-(6-butyl-1H-benzimidazol-2-yl)carbamate

propan-2-yl N-(6-butyl-1H-benzimidazol-2-yl)carbamate (PubChem CID 163361730) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is propan-2-yl N-(6-butyl-1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(6-butyl-1H-benzimidazol-2-yl)carbamate
PubChem CID163361730
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Namepropan-2-yl N-(6-butyl-1H-benzimidazol-2-yl)carbamate
SMILESCCCCc1ccc2nc(NC(=O)OC(C)C)[nH]c2c1
InChIInChI=1S/C15H21N3O2/c1-4-5-6-11-7-8-12-13(9-11)17-14(16-12)18-15(19)20-10(2)3/h7-10H,4-6H2,1-3H3,(H2,16,17,18,19)
InChIKeyTXUNNYAAJSYYGI-UHFFFAOYSA-N
XLogP3.86
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(6-butyl-1H-benzimidazol-2-yl)carbamate?
The IUPAC name of propan-2-yl N-(6-butyl-1H-benzimidazol-2-yl)carbamate (CID 163361730) is propan-2-yl N-(6-butyl-1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for propan-2-yl N-(6-butyl-1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for propan-2-yl N-(6-butyl-1H-benzimidazol-2-yl)carbamate is CCCCc1ccc2nc(NC(=O)OC(C)C)[nH]c2c1.
What is the InChIKey of propan-2-yl N-(6-butyl-1H-benzimidazol-2-yl)carbamate?
The InChIKey is TXUNNYAAJSYYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-5-6-11-7-8-12-13(9-11)17-14(16-12)18-15(19)20-10(2)3/h7-10H,4-6H2,1-3H3,(H2,16,17,18,19).
What are the key properties of propan-2-yl N-(6-butyl-1H-benzimidazol-2-yl)carbamate?
propan-2-yl N-(6-butyl-1H-benzimidazol-2-yl)carbamate has a molecular weight of 275.35 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(6-butyl-1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 163361730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).