1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine

C13H16FN3 — CID 62378397

IUPAC1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine
SMILESNc1nc2ccc(F)cc2n1CC1CCCC1
InChIInChI=1S/C13H16FN3/c14-10-5-6-11-12(7-10)17(13(15)16-11)8-9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H2,15,16)
InChIKeyGKJLMVPSCQFYTN-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.95
Rot. Bonds2

About 1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine

1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine (PubChem CID 62378397) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine
PubChem CID62378397
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine
SMILESNc1nc2ccc(F)cc2n1CC1CCCC1
InChIInChI=1S/C13H16FN3/c14-10-5-6-11-12(7-10)17(13(15)16-11)8-9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H2,15,16)
InChIKeyGKJLMVPSCQFYTN-UHFFFAOYSA-N
XLogP2.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-5-fluorobenzimidazol-2-amine
CID 43662075
1-[(1,1-dioxothiolan-2-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 81040051
1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine
CID 113325607
1-(2-cyclopentylethyl)-5-fluorobenzimidazol-2-amine
CID 54932894
1-(cyclopentylmethyl)-5-methylbenzimidazol-2-amine
CID 43662072
1-(cyclopropylmethyl)-6-fluoro-2-propan-2-ylbenzimidazole
CID 58459395
5-fluoro-1-(pyrrolidin-3-ylmethyl)benzimidazol-2-amine
CID 84796895
1-[[1-(dimethylamino)cyclopentyl]methyl]-6-fluorobenzimidazol-2-amine
CID 83115717
6-fluoro-1-pentylbenzimidazol-2-amine
CID 62378390
5-chloro-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazol-2-amine
CID 66078129
1-(2,2-dimethylbutyl)-6-fluorobenzimidazol-2-amine
CID 103462884
1-[(4-bromophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 58564987

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine (CID 62378397) is 1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine is Nc1nc2ccc(F)cc2n1CC1CCCC1.
What is the InChIKey of 1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine?
The InChIKey is GKJLMVPSCQFYTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c14-10-5-6-11-12(7-10)17(13(15)16-11)8-9-3-1-2-4-9/h5-7,9H,1-4,8H2,(H2,15,16).
What are the key properties of 1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine?
1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine has a molecular weight of 233.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylmethyl)-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 62378397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).