N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1H-benzimidazol-2-amine

C13H13F2N5 — CID 75435471

IUPACN-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1H-benzimidazol-2-amine
SMILESFC(F)n1ccnc1CCNc1nc2ccccc2[nH]1
InChIInChI=1S/C13H13F2N5/c14-12(15)20-8-7-16-11(20)5-6-17-13-18-9-3-1-2-4-10(9)19-13/h1-4,7-8,12H,5-6H2,(H2,17,18,19)
InChIKeyYECYWQHPCXJFIP-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.81
Rot. Bonds5

About N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1H-benzimidazol-2-amine

N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1H-benzimidazol-2-amine (PubChem CID 75435471) has the molecular formula C13H13F2N5 and a molecular weight of 277.28 g/mol. Its IUPAC name is N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1H-benzimidazol-2-amine
PubChem CID75435471
Molecular FormulaC13H13F2N5
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC NameN-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1H-benzimidazol-2-amine
SMILESFC(F)n1ccnc1CCNc1nc2ccccc2[nH]1
InChIInChI=1S/C13H13F2N5/c14-12(15)20-8-7-16-11(20)5-6-17-13-18-9-3-1-2-4-10(9)19-13/h1-4,7-8,12H,5-6H2,(H2,17,18,19)
InChIKeyYECYWQHPCXJFIP-UHFFFAOYSA-N
XLogP2.81
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 133410346
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-amine
CID 113327793
N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 133410613
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576
N-(2-phenoxyethyl)-1H-benzimidazol-2-amine
CID 55023552
N-[2-(1H-indol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 30033461
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 103868134
N-[2-(3-methylphenyl)ethyl]-1H-benzimidazol-2-amine
CID 62313746

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1H-benzimidazol-2-amine?
The IUPAC name of N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1H-benzimidazol-2-amine (CID 75435471) is N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1H-benzimidazol-2-amine?
The canonical SMILES for N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1H-benzimidazol-2-amine is FC(F)n1ccnc1CCNc1nc2ccccc2[nH]1.
What is the InChIKey of N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1H-benzimidazol-2-amine?
The InChIKey is YECYWQHPCXJFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N5/c14-12(15)20-8-7-16-11(20)5-6-17-13-18-9-3-1-2-4-10(9)19-13/h1-4,7-8,12H,5-6H2,(H2,17,18,19).
What are the key properties of N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1H-benzimidazol-2-amine?
N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1H-benzimidazol-2-amine has a molecular weight of 277.28 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 75435471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).