2-cyclopropyl-1-(2,6-difluorophenyl)benzimidazol-5-amine

C16H13F2N3 — CID 62507018

IUPAC2-cyclopropyl-1-(2,6-difluorophenyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)nc(C1CC1)n2-c1c(F)cccc1F
InChIInChI=1S/C16H13F2N3/c17-11-2-1-3-12(18)15(11)21-14-7-6-10(19)8-13(14)20-16(21)9-4-5-9/h1-3,6-9H,4-5,19H2
InChIKeyACLFGVHXBAWUKM-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.76
Rot. Bonds2

About 2-cyclopropyl-1-(2,6-difluorophenyl)benzimidazol-5-amine

2-cyclopropyl-1-(2,6-difluorophenyl)benzimidazol-5-amine (PubChem CID 62507018) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-cyclopropyl-1-(2,6-difluorophenyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(2,6-difluorophenyl)benzimidazol-5-amine
PubChem CID62507018
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-cyclopropyl-1-(2,6-difluorophenyl)benzimidazol-5-amine
SMILESNc1ccc2c(c1)nc(C1CC1)n2-c1c(F)cccc1F
InChIInChI=1S/C16H13F2N3/c17-11-2-1-3-12(18)15(11)21-14-7-6-10(19)8-13(14)20-16(21)9-4-5-9/h1-3,6-9H,4-5,19H2
InChIKeyACLFGVHXBAWUKM-UHFFFAOYSA-N
XLogP3.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine
CID 113304084
1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine
CID 62506849
2-cyclopropyl-1-(1-methylpyrazol-4-yl)benzimidazol-5-amine
CID 79786529
1-(4-bromo-2-methylphenyl)-2-cyclopropylbenzimidazol-5-amine
CID 63497745
1-[(3-bromophenyl)methyl]-2-cyclopropylbenzimidazol-5-amine
CID 62494124
5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine
CID 43661750
2-(5-amino-2-cyclopropylbenzimidazol-1-yl)-2-(hydroxymethyl)propane-1,3-diol
CID 107849672
2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
CID 79360961
2-cyclopropyl-1-(pyridin-3-ylmethyl)benzimidazol-5-amine
CID 62506035
2-cyclopentyl-1-ethylbenzimidazol-5-amine
CID 82391011
2-cyclopropyl-1-(2-methylsulfanylethyl)benzimidazol-5-amine
CID 63958490
3-(5-amino-2-cyclopropylbenzimidazol-1-yl)propanamide
CID 62507866

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(2,6-difluorophenyl)benzimidazol-5-amine?
The IUPAC name of 2-cyclopropyl-1-(2,6-difluorophenyl)benzimidazol-5-amine (CID 62507018) is 2-cyclopropyl-1-(2,6-difluorophenyl)benzimidazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-1-(2,6-difluorophenyl)benzimidazol-5-amine?
The canonical SMILES for 2-cyclopropyl-1-(2,6-difluorophenyl)benzimidazol-5-amine is Nc1ccc2c(c1)nc(C1CC1)n2-c1c(F)cccc1F.
What is the InChIKey of 2-cyclopropyl-1-(2,6-difluorophenyl)benzimidazol-5-amine?
The InChIKey is ACLFGVHXBAWUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c17-11-2-1-3-12(18)15(11)21-14-7-6-10(19)8-13(14)20-16(21)9-4-5-9/h1-3,6-9H,4-5,19H2.
What are the key properties of 2-cyclopropyl-1-(2,6-difluorophenyl)benzimidazol-5-amine?
2-cyclopropyl-1-(2,6-difluorophenyl)benzimidazol-5-amine has a molecular weight of 285.30 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(2,6-difluorophenyl)benzimidazol-5-amine is sourced from PubChem (CID 62507018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).