N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine

C10H12F2N4 — CID 114384228

IUPACN'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine
SMILESNCC(F)(F)CNc1nc2ccccc2[nH]1
InChIInChI=1S/C10H12F2N4/c11-10(12,5-13)6-14-9-15-7-3-1-2-4-8(7)16-9/h1-4H,5-6,13H2,(H2,14,15,16)
InChIKeyFXQYRUUZPADCDA-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.57
Rot. Bonds4

About N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine

N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine (PubChem CID 114384228) has the molecular formula C10H12F2N4 and a molecular weight of 226.23 g/mol. Its IUPAC name is N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine
PubChem CID114384228
Molecular FormulaC10H12F2N4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC NameN'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine
SMILESNCC(F)(F)CNc1nc2ccccc2[nH]1
InChIInChI=1S/C10H12F2N4/c11-10(12,5-13)6-14-9-15-7-3-1-2-4-8(7)16-9/h1-4H,5-6,13H2,(H2,14,15,16)
InChIKeyFXQYRUUZPADCDA-UHFFFAOYSA-N
XLogP1.57
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluoroethyl)-1H-benzimidazol-2-amine
CID 91044936
N-(2-methoxy-2-methylpropyl)-1H-benzimidazol-2-amine
CID 115865687
N-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-amine
CID 113327793
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576
N-(4-methoxy-2,2-dimethylbutyl)-1H-benzimidazol-2-amine
CID 104624011
N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
1-amino-3-(1H-benzimidazol-2-ylamino)propan-2-one
CID 157412307
N-[2-methyl-2-(1H-pyrrol-3-yl)propyl]-1H-benzimidazol-2-amine
CID 115143934
N-tert-butyl-1H-benzimidazol-2-amine
CID 54040021
N-prop-2-enyl-1H-benzimidazol-2-amine
CID 11171255
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
2,2-difluoro-N'-(3-methylquinoxalin-2-yl)propane-1,3-diamine
CID 114384368

Frequently Asked Questions

What is the IUPAC name of N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine?
The IUPAC name of N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine (CID 114384228) is N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine.
What is the SMILES notation for N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine?
The canonical SMILES for N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine is NCC(F)(F)CNc1nc2ccccc2[nH]1.
What is the InChIKey of N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine?
The InChIKey is FXQYRUUZPADCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4/c11-10(12,5-13)6-14-9-15-7-3-1-2-4-8(7)16-9/h1-4H,5-6,13H2,(H2,14,15,16).
What are the key properties of N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine?
N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine has a molecular weight of 226.23 g/mol, XLogP of 1.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine is sourced from PubChem (CID 114384228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).