N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide

C12H11Cl2N3O — CID 43016841

IUPACN-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2nc3ccccc3[nH]2)CC1(Cl)Cl
InChIInChI=1S/C12H11Cl2N3O/c1-11(6-12(11,13)14)9(18)17-10-15-7-4-2-3-5-8(7)16-10/h2-5H,6H2,1H3,(H2,15,16,17,18)
InChIKeyQGJNIHWSCOUVRR-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.09
Rot. Bonds2

About N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide

N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide (PubChem CID 43016841) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
PubChem CID43016841
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC NameN-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide
SMILESCC1(C(=O)Nc2nc3ccccc3[nH]2)CC1(Cl)Cl
InChIInChI=1S/C12H11Cl2N3O/c1-11(6-12(11,13)14)9(18)17-10-15-7-4-2-3-5-8(7)16-10/h2-5H,6H2,1H3,(H2,15,16,17,18)
InChIKeyQGJNIHWSCOUVRR-UHFFFAOYSA-N
XLogP3.09
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1H-benzimidazol-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63562778
1-(aminomethyl)-N-(1H-benzimidazol-2-yl)-4-methylcyclohexane-1-carboxamide
CID 115442160
N-(1H-benzimidazol-2-yl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980681
N-(1H-benzimidazol-2-yl)-1-carbamothioylcyclopentane-1-carboxamide
CID 63563740
N-(1H-benzimidazol-2-yl)-1H-benzimidazole-2-carboxamide
CID 12620222
1,3-bis(1H-benzimidazol-2-ylcarbamoyl)-1,3-dimethylurea
CID 171986665
methyl N-(1H-benzimidazol-2-yl)carbamoperoxoate
CID 13411944
N-(1H-benzimidazol-2-yl)-2-propylpyrrolidine-2-carboxamide
CID 106975213
1H-benzimidazol-2-ylcarbamic acid;1-(1H-benzimidazol-2-yl)-3-methylurea
CID 69462051
N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 47154418
N-(1H-benzimidazol-2-yl)-1-(1,3-benzothiazol-2-ylmethyl)cyclopentane-1-carboxamide
CID 8849903
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide (CID 43016841) is N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide is CC1(C(=O)Nc2nc3ccccc3[nH]2)CC1(Cl)Cl.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
The InChIKey is QGJNIHWSCOUVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-11(6-12(11,13)14)9(18)17-10-15-7-4-2-3-5-8(7)16-10/h2-5H,6H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide?
N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2,2-dichloro-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 43016841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).