2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine

C18H25N3 — CID 79360961

IUPAC2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
SMILESCC1(C)C(Cn2c(C3CC3)nc3cc(N)ccc32)C1(C)C
InChIInChI=1S/C18H25N3/c1-17(2)15(18(17,3)4)10-21-14-8-7-12(19)9-13(14)20-16(21)11-5-6-11/h7-9,11,15H,5-6,10,19H2,1-4H3
InChIKeyWXZRHLDKSPSNJT-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.18
Rot. Bonds3

About 2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine

2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine (PubChem CID 79360961) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
PubChem CID79360961
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC Name2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
SMILESCC1(C)C(Cn2c(C3CC3)nc3cc(N)ccc32)C1(C)C
InChIInChI=1S/C18H25N3/c1-17(2)15(18(17,3)4)10-21-14-8-7-12(19)9-13(14)20-16(21)11-5-6-11/h7-9,11,15H,5-6,10,19H2,1-4H3
InChIKeyWXZRHLDKSPSNJT-UHFFFAOYSA-N
XLogP4.18
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine 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

2-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
CID 79360481
2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830686
2-cyclopentyl-1-ethylbenzimidazol-5-amine
CID 82391011
2-cyclopropyl-1-(2-methylsulfanylethyl)benzimidazol-5-amine
CID 63958490
2-cyclopropyl-1-(thiolan-3-ylmethyl)benzimidazol-5-amine
CID 107298291
2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine
CID 113304084
4-(5-amino-2-cyclopropylbenzimidazol-1-yl)butanamide
CID 62508536
2-cyclopropyl-1-[(1,1-dioxothiolan-2-yl)methyl]benzimidazol-5-amine
CID 81042244
2-cyclopentyl-1-(2-methylpropyl)benzimidazol-5-amine
CID 82380447
2-cyclopropyl-1-(2-propan-2-yloxyethyl)benzimidazol-5-amine
CID 104765893
2-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507722
3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide
CID 62507866

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine?
The IUPAC name of 2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine (CID 79360961) is 2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine?
The canonical SMILES for 2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine is CC1(C)C(Cn2c(C3CC3)nc3cc(N)ccc32)C1(C)C.
What is the InChIKey of 2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine?
The InChIKey is WXZRHLDKSPSNJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-17(2)15(18(17,3)4)10-21-14-8-7-12(19)9-13(14)20-16(21)11-5-6-11/h7-9,11,15H,5-6,10,19H2,1-4H3.
What are the key properties of 2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine?
2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine has a molecular weight of 283.42 g/mol, XLogP of 4.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 79360961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).