1-(4,6-difluoro-1H-benzimidazol-2-yl)cycloheptan-1-amine

C14H17F2N3 — CID 81449334

IUPAC1-(4,6-difluoro-1H-benzimidazol-2-yl)cycloheptan-1-amine
SMILESNC1(c2nc3c(F)cc(F)cc3[nH]2)CCCCCC1
InChIInChI=1S/C14H17F2N3/c15-9-7-10(16)12-11(8-9)18-13(19-12)14(17)5-3-1-2-4-6-14/h7-8H,1-6,17H2,(H,18,19)
InChIKeyCQAYHMRVTDHZLT-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.35
Rot. Bonds1

About 1-(4,6-difluoro-1H-benzimidazol-2-yl)cycloheptan-1-amine

1-(4,6-difluoro-1H-benzimidazol-2-yl)cycloheptan-1-amine (PubChem CID 81449334) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(4,6-difluoro-1H-benzimidazol-2-yl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(4,6-difluoro-1H-benzimidazol-2-yl)cycloheptan-1-amine
PubChem CID81449334
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(4,6-difluoro-1H-benzimidazol-2-yl)cycloheptan-1-amine
SMILESNC1(c2nc3c(F)cc(F)cc3[nH]2)CCCCCC1
InChIInChI=1S/C14H17F2N3/c15-9-7-10(16)12-11(8-9)18-13(19-12)14(17)5-3-1-2-4-6-14/h7-8H,1-6,17H2,(H,18,19)
InChIKeyCQAYHMRVTDHZLT-UHFFFAOYSA-N
XLogP3.35
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluoro-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 61289877
4-(4,6-difluoro-1H-benzimidazol-2-yl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 59279278
ethyl 1-(4,6-difluoro-1H-benzimidazol-2-yl)cyclobutane-1-carboxylate
CID 81448307
1-(6-chloro-1H-benzimidazol-2-yl)cyclohexan-1-amine
CID 61292154
1-(6-chloro-1H-benzimidazol-2-yl)cycloheptan-1-amine
CID 61291416
4-(4-fluoro-1H-benzimidazol-2-yl)oxan-4-amine
CID 113280276
4,6-difluoro-2-iodo-1H-benzimidazole
CID 143699120
1-(2,4,6-trifluorophenyl)cyclopentan-1-amine;hydrochloride
CID 117046880
2-(1-aminocycloheptyl)-1H-imidazo[4,5-b]pyridin-5-amine
CID 79821185
2-(1-aminocyclopentyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79432801
1-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylcyclohexan-1-amine
CID 112556438
2-(4,6-difluoro-1H-benzimidazol-2-yl)-2-ethylbutan-1-amine
CID 113308599

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-difluoro-1H-benzimidazol-2-yl)cycloheptan-1-amine?
The IUPAC name of 1-(4,6-difluoro-1H-benzimidazol-2-yl)cycloheptan-1-amine (CID 81449334) is 1-(4,6-difluoro-1H-benzimidazol-2-yl)cycloheptan-1-amine.
What is the SMILES notation for 1-(4,6-difluoro-1H-benzimidazol-2-yl)cycloheptan-1-amine?
The canonical SMILES for 1-(4,6-difluoro-1H-benzimidazol-2-yl)cycloheptan-1-amine is NC1(c2nc3c(F)cc(F)cc3[nH]2)CCCCCC1.
What is the InChIKey of 1-(4,6-difluoro-1H-benzimidazol-2-yl)cycloheptan-1-amine?
The InChIKey is CQAYHMRVTDHZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c15-9-7-10(16)12-11(8-9)18-13(19-12)14(17)5-3-1-2-4-6-14/h7-8H,1-6,17H2,(H,18,19).
What are the key properties of 1-(4,6-difluoro-1H-benzimidazol-2-yl)cycloheptan-1-amine?
1-(4,6-difluoro-1H-benzimidazol-2-yl)cycloheptan-1-amine has a molecular weight of 265.31 g/mol, XLogP of 3.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-difluoro-1H-benzimidazol-2-yl)cycloheptan-1-amine is sourced from PubChem (CID 81449334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).