N-cyclopropyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)propanamide

C14H21N3O — CID 116626656

IUPACN-cyclopropyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)propanamide
SMILESCc1nc2c(n1C(C)C(=O)NC1CC1)CCCC2
InChIInChI=1S/C14H21N3O/c1-9(14(18)16-11-7-8-11)17-10(2)15-12-5-3-4-6-13(12)17/h9,11H,3-8H2,1-2H3,(H,16,18)
InChIKeyUWHNUGPCRMIMDT-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.91
Rot. Bonds3

About N-cyclopropyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)propanamide

N-cyclopropyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)propanamide (PubChem CID 116626656) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N-cyclopropyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)propanamide
PubChem CID116626656
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN-cyclopropyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)propanamide
SMILESCc1nc2c(n1C(C)C(=O)NC1CC1)CCCC2
InChIInChI=1S/C14H21N3O/c1-9(14(18)16-11-7-8-11)17-10(2)15-12-5-3-4-6-13(12)17/h9,11H,3-8H2,1-2H3,(H,16,18)
InChIKeyUWHNUGPCRMIMDT-UHFFFAOYSA-N
XLogP1.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)propanamide 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 N-cyclopropyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)propanamide?
The IUPAC name of N-cyclopropyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)propanamide (CID 116626656) is N-cyclopropyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)propanamide?
The canonical SMILES for N-cyclopropyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)propanamide is Cc1nc2c(n1C(C)C(=O)NC1CC1)CCCC2.
What is the InChIKey of N-cyclopropyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)propanamide?
The InChIKey is UWHNUGPCRMIMDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9(14(18)16-11-7-8-11)17-10(2)15-12-5-3-4-6-13(12)17/h9,11H,3-8H2,1-2H3,(H,16,18).
What are the key properties of N-cyclopropyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)propanamide?
N-cyclopropyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)propanamide has a molecular weight of 247.34 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2-methyl-4,5,6,7-tetrahydrobenzimidazol-1-yl)propanamide is sourced from PubChem (CID 116626656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).