N-(2-fluoroethyl)-1H-benzimidazol-2-amine

C9H10FN3 — CID 91044936

IUPACN-(2-fluoroethyl)-1H-benzimidazol-2-amine
SMILESFCCNc1nc2ccccc2[nH]1
InChIInChI=1S/C9H10FN3/c10-5-6-11-9-12-7-3-1-2-4-8(7)13-9/h1-4H,5-6H2,(H2,11,12,13)
InChIKeyCKPIGMYGNJLGOJ-UHFFFAOYSA-N
MW179.20 g/mol
LogP1.94
Rot. Bonds3

About N-(2-fluoroethyl)-1H-benzimidazol-2-amine

N-(2-fluoroethyl)-1H-benzimidazol-2-amine (PubChem CID 91044936) has the molecular formula C9H10FN3 and a molecular weight of 179.20 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1H-benzimidazol-2-amine
PubChem CID91044936
Molecular FormulaC9H10FN3
Molecular Weight179.20 g/mol
Exact Mass179.09
IUPAC NameN-(2-fluoroethyl)-1H-benzimidazol-2-amine
SMILESFCCNc1nc2ccccc2[nH]1
InChIInChI=1S/C9H10FN3/c10-5-6-11-9-12-7-3-1-2-4-8(7)13-9/h1-4H,5-6H2,(H2,11,12,13)
InChIKeyCKPIGMYGNJLGOJ-UHFFFAOYSA-N
XLogP1.94
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.20
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoethyl)-1H-benzimidazol-2-amine
CID 119092998
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576
ethane;N-propyl-1H-benzimidazol-2-amine
CID 145154327
N-(4,4,4-trifluorobutyl)-1H-benzimidazol-2-amine
CID 113327793
N-(2-methoxyethyl)-1H-benzimidazol-2-amine
CID 16653132
N-pentyl-1H-benzimidazol-2-amine;hydrochloride
CID 174826614
N'-(1H-benzimidazol-2-yl)-2,2-difluoropropane-1,3-diamine
CID 114384228
N-(2-phenoxyethyl)-1H-benzimidazol-2-amine
CID 55023552
(1H-benzimidazol-2-ylamino)methylphosphonic acid
CID 57013853
N-prop-2-enyl-1H-benzimidazol-2-amine
CID 11171255
N-[2-(2,5-difluorophenyl)ethyl]-1H-benzimidazol-2-amine
CID 133410613
N-(1H-benzimidazol-2-yl)-N'-methyl-N'-phenylethane-1,2-diamine
CID 146123718

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1H-benzimidazol-2-amine?
The IUPAC name of N-(2-fluoroethyl)-1H-benzimidazol-2-amine (CID 91044936) is N-(2-fluoroethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for N-(2-fluoroethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for N-(2-fluoroethyl)-1H-benzimidazol-2-amine is FCCNc1nc2ccccc2[nH]1.
What is the InChIKey of N-(2-fluoroethyl)-1H-benzimidazol-2-amine?
The InChIKey is CKPIGMYGNJLGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN3/c10-5-6-11-9-12-7-3-1-2-4-8(7)13-9/h1-4H,5-6H2,(H2,11,12,13).
What are the key properties of N-(2-fluoroethyl)-1H-benzimidazol-2-amine?
N-(2-fluoroethyl)-1H-benzimidazol-2-amine has a molecular weight of 179.20 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 91044936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).