1-(2-methoxycyclopentyl)-5-methylbenzimidazol-2-amine

C14H19N3O — CID 62086320

IUPAC1-(2-methoxycyclopentyl)-5-methylbenzimidazol-2-amine
SMILESCOC1CCCC1n1c(N)nc2cc(C)ccc21
InChIInChI=1S/C14H19N3O/c1-9-6-7-11-10(8-9)16-14(15)17(11)12-4-3-5-13(12)18-2/h6-8,12-13H,3-5H2,1-2H3,(H2,15,16)
InChIKeyBBULWYHUKBPJTF-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.67
Rot. Bonds2

About 1-(2-methoxycyclopentyl)-5-methylbenzimidazol-2-amine

1-(2-methoxycyclopentyl)-5-methylbenzimidazol-2-amine (PubChem CID 62086320) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-(2-methoxycyclopentyl)-5-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-methoxycyclopentyl)-5-methylbenzimidazol-2-amine
PubChem CID62086320
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-(2-methoxycyclopentyl)-5-methylbenzimidazol-2-amine
SMILESCOC1CCCC1n1c(N)nc2cc(C)ccc21
InChIInChI=1S/C14H19N3O/c1-9-6-7-11-10(8-9)16-14(15)17(11)12-4-3-5-13(12)18-2/h6-8,12-13H,3-5H2,1-2H3,(H2,15,16)
InChIKeyBBULWYHUKBPJTF-UHFFFAOYSA-N
XLogP2.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxycyclopentyl)-5-methylbenzimidazol-2-amine?
The IUPAC name of 1-(2-methoxycyclopentyl)-5-methylbenzimidazol-2-amine (CID 62086320) is 1-(2-methoxycyclopentyl)-5-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(2-methoxycyclopentyl)-5-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(2-methoxycyclopentyl)-5-methylbenzimidazol-2-amine is COC1CCCC1n1c(N)nc2cc(C)ccc21.
What is the InChIKey of 1-(2-methoxycyclopentyl)-5-methylbenzimidazol-2-amine?
The InChIKey is BBULWYHUKBPJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-9-6-7-11-10(8-9)16-14(15)17(11)12-4-3-5-13(12)18-2/h6-8,12-13H,3-5H2,1-2H3,(H2,15,16).
What are the key properties of 1-(2-methoxycyclopentyl)-5-methylbenzimidazol-2-amine?
1-(2-methoxycyclopentyl)-5-methylbenzimidazol-2-amine has a molecular weight of 245.33 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxycyclopentyl)-5-methylbenzimidazol-2-amine is sourced from PubChem (CID 62086320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).