1-[5,6-dichloro-2-(cyclopropylamino)benzimidazol-1-yl]-3-methylcyclopentane-1,2-diol

C16H19Cl2N3O2 — CID 67599109

IUPAC1-[5,6-dichloro-2-(cyclopropylamino)benzimidazol-1-yl]-3-methylcyclopentane-1,2-diol
SMILESCC1CCC(O)(n2c(NC3CC3)nc3cc(Cl)c(Cl)cc32)C1O
InChIInChI=1S/C16H19Cl2N3O2/c1-8-4-5-16(23,14(8)22)21-13-7-11(18)10(17)6-12(13)20-15(21)19-9-2-3-9/h6-9,14,22-23H,2-5H2,1H3,(H,19,20)
InChIKeyLUBZAFGALWYJPF-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.35
Rot. Bonds3

About 1-[5,6-dichloro-2-(cyclopropylamino)benzimidazol-1-yl]-3-methylcyclopentane-1,2-diol

1-[5,6-dichloro-2-(cyclopropylamino)benzimidazol-1-yl]-3-methylcyclopentane-1,2-diol (PubChem CID 67599109) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 1-[5,6-dichloro-2-(cyclopropylamino)benzimidazol-1-yl]-3-methylcyclopentane-1,2-diol.

Molecular Properties

Compound Name1-[5,6-dichloro-2-(cyclopropylamino)benzimidazol-1-yl]-3-methylcyclopentane-1,2-diol
PubChem CID67599109
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name1-[5,6-dichloro-2-(cyclopropylamino)benzimidazol-1-yl]-3-methylcyclopentane-1,2-diol
SMILESCC1CCC(O)(n2c(NC3CC3)nc3cc(Cl)c(Cl)cc32)C1O
InChIInChI=1S/C16H19Cl2N3O2/c1-8-4-5-16(23,14(8)22)21-13-7-11(18)10(17)6-12(13)20-15(21)19-9-2-3-9/h6-9,14,22-23H,2-5H2,1H3,(H,19,20)
InChIKeyLUBZAFGALWYJPF-UHFFFAOYSA-N
XLogP3.35
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5,6-dichloro-2-(cyclopropylamino)benzimidazol-1-yl]-3-methylcyclopentane-1,2-diol?
The IUPAC name of 1-[5,6-dichloro-2-(cyclopropylamino)benzimidazol-1-yl]-3-methylcyclopentane-1,2-diol (CID 67599109) is 1-[5,6-dichloro-2-(cyclopropylamino)benzimidazol-1-yl]-3-methylcyclopentane-1,2-diol.
What is the SMILES notation for 1-[5,6-dichloro-2-(cyclopropylamino)benzimidazol-1-yl]-3-methylcyclopentane-1,2-diol?
The canonical SMILES for 1-[5,6-dichloro-2-(cyclopropylamino)benzimidazol-1-yl]-3-methylcyclopentane-1,2-diol is CC1CCC(O)(n2c(NC3CC3)nc3cc(Cl)c(Cl)cc32)C1O.
What is the InChIKey of 1-[5,6-dichloro-2-(cyclopropylamino)benzimidazol-1-yl]-3-methylcyclopentane-1,2-diol?
The InChIKey is LUBZAFGALWYJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c1-8-4-5-16(23,14(8)22)21-13-7-11(18)10(17)6-12(13)20-15(21)19-9-2-3-9/h6-9,14,22-23H,2-5H2,1H3,(H,19,20).
What are the key properties of 1-[5,6-dichloro-2-(cyclopropylamino)benzimidazol-1-yl]-3-methylcyclopentane-1,2-diol?
1-[5,6-dichloro-2-(cyclopropylamino)benzimidazol-1-yl]-3-methylcyclopentane-1,2-diol has a molecular weight of 356.25 g/mol, XLogP of 3.35, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5,6-dichloro-2-(cyclopropylamino)benzimidazol-1-yl]-3-methylcyclopentane-1,2-diol is sourced from PubChem (CID 67599109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).