6-chloro-2-methylidene-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole

C16H22ClN3 — CID 58547344

IUPAC6-chloro-2-methylidene-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole
SMILESC=C1Nc2cc(Cl)ccc2N1C1CCN(C(C)C)CC1
InChIInChI=1S/C16H22ClN3/c1-11(2)19-8-6-14(7-9-19)20-12(3)18-15-10-13(17)4-5-16(15)20/h4-5,10-11,14,18H,3,6-9H2,1-2H3
InChIKeyZGTKGYVWDVIHMI-UHFFFAOYSA-N
MW291.83 g/mol
LogP3.92
Rot. Bonds2

About 6-chloro-2-methylidene-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole

6-chloro-2-methylidene-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole (PubChem CID 58547344) has the molecular formula C16H22ClN3 and a molecular weight of 291.83 g/mol. Its IUPAC name is 6-chloro-2-methylidene-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-methylidene-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole
PubChem CID58547344
Molecular FormulaC16H22ClN3
Molecular Weight291.83 g/mol
Exact Mass291.15
IUPAC Name6-chloro-2-methylidene-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole
SMILESC=C1Nc2cc(Cl)ccc2N1C1CCN(C(C)C)CC1
InChIInChI=1S/C16H22ClN3/c1-11(2)19-8-6-14(7-9-19)20-12(3)18-15-10-13(17)4-5-16(15)20/h4-5,10-11,14,18H,3,6-9H2,1-2H3
InChIKeyZGTKGYVWDVIHMI-UHFFFAOYSA-N
XLogP3.92
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methylidene-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole?
The IUPAC name of 6-chloro-2-methylidene-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole (CID 58547344) is 6-chloro-2-methylidene-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-methylidene-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-methylidene-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole is C=C1Nc2cc(Cl)ccc2N1C1CCN(C(C)C)CC1.
What is the InChIKey of 6-chloro-2-methylidene-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole?
The InChIKey is ZGTKGYVWDVIHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3/c1-11(2)19-8-6-14(7-9-19)20-12(3)18-15-10-13(17)4-5-16(15)20/h4-5,10-11,14,18H,3,6-9H2,1-2H3.
What are the key properties of 6-chloro-2-methylidene-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole?
6-chloro-2-methylidene-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole has a molecular weight of 291.83 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methylidene-3-(1-propan-2-ylpiperidin-4-yl)-1H-benzimidazole is sourced from PubChem (CID 58547344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).