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

C19H21N3O2 — CID 163361741

IUPACbenzyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate
SMILESCCCCc1ccc2nc(NC(=O)OCc3ccccc3)[nH]c2c1
InChIInChI=1S/C19H21N3O2/c1-2-3-7-14-10-11-16-17(12-14)21-18(20-16)22-19(23)24-13-15-8-5-4-6-9-15/h4-6,8-12H,2-3,7,13H2,1H3,(H2,20,21,22,23)
InChIKeyQXOOBXXGYVCQRH-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.65
Rot. Bonds6

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

benzyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate (PubChem CID 163361741) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is benzyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate
PubChem CID163361741
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Namebenzyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate
SMILESCCCCc1ccc2nc(NC(=O)OCc3ccccc3)[nH]c2c1
InChIInChI=1S/C19H21N3O2/c1-2-3-7-14-10-11-16-17(12-14)21-18(20-16)22-19(23)24-13-15-8-5-4-6-9-15/h4-6,8-12H,2-3,7,13H2,1H3,(H2,20,21,22,23)
InChIKeyQXOOBXXGYVCQRH-UHFFFAOYSA-N
XLogP4.65
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze benzyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate?
The IUPAC name of benzyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate (CID 163361741) is benzyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate.
What is the SMILES notation for benzyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate?
The canonical SMILES for benzyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate is CCCCc1ccc2nc(NC(=O)OCc3ccccc3)[nH]c2c1.
What is the InChIKey of benzyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate?
The InChIKey is QXOOBXXGYVCQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-3-7-14-10-11-16-17(12-14)21-18(20-16)22-19(23)24-13-15-8-5-4-6-9-15/h4-6,8-12H,2-3,7,13H2,1H3,(H2,20,21,22,23).
What are the key properties of benzyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate?
benzyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate has a molecular weight of 323.40 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(6-butyl-1H-benzimidazol-2-yl)carbamate is sourced from PubChem (CID 163361741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).