2-chloro-1-[(5S)-4,5-dimethyl-5-pentan-2-ylcyclopenten-1-yl]benzimidazole

C19H25ClN2 — CID 70918322

IUPAC2-chloro-1-[(5S)-4,5-dimethyl-5-pentan-2-ylcyclopenten-1-yl]benzimidazole
SMILESCCCC(C)[C@]1(C)C(n2c(Cl)nc3ccccc32)=CCC1C
InChIInChI=1S/C19H25ClN2/c1-5-8-13(2)19(4)14(3)11-12-17(19)22-16-10-7-6-9-15(16)21-18(22)20/h6-7,9-10,12-14H,5,8,11H2,1-4H3/t13?,14?,19-/m0/s1
InChIKeyRJRQHICUJOJQBQ-MHVYXZCWSA-N
MW316.88 g/mol
LogP6.01
Rot. Bonds4

About 2-chloro-1-[(5S)-4,5-dimethyl-5-pentan-2-ylcyclopenten-1-yl]benzimidazole

2-chloro-1-[(5S)-4,5-dimethyl-5-pentan-2-ylcyclopenten-1-yl]benzimidazole (PubChem CID 70918322) has the molecular formula C19H25ClN2 and a molecular weight of 316.88 g/mol. Its IUPAC name is 2-chloro-1-[(5S)-4,5-dimethyl-5-pentan-2-ylcyclopenten-1-yl]benzimidazole.

Molecular Properties

Compound Name2-chloro-1-[(5S)-4,5-dimethyl-5-pentan-2-ylcyclopenten-1-yl]benzimidazole
PubChem CID70918322
Molecular FormulaC19H25ClN2
Molecular Weight316.88 g/mol
Exact Mass316.17
IUPAC Name2-chloro-1-[(5S)-4,5-dimethyl-5-pentan-2-ylcyclopenten-1-yl]benzimidazole
SMILESCCCC(C)[C@]1(C)C(n2c(Cl)nc3ccccc32)=CCC1C
InChIInChI=1S/C19H25ClN2/c1-5-8-13(2)19(4)14(3)11-12-17(19)22-16-10-7-6-9-15(16)21-18(22)20/h6-7,9-10,12-14H,5,8,11H2,1-4H3/t13?,14?,19-/m0/s1
InChIKeyRJRQHICUJOJQBQ-MHVYXZCWSA-N
XLogP6.01
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.88
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(5S)-4,5-dimethyl-5-pentan-2-ylcyclopenten-1-yl]benzimidazole?
The IUPAC name of 2-chloro-1-[(5S)-4,5-dimethyl-5-pentan-2-ylcyclopenten-1-yl]benzimidazole (CID 70918322) is 2-chloro-1-[(5S)-4,5-dimethyl-5-pentan-2-ylcyclopenten-1-yl]benzimidazole.
What is the SMILES notation for 2-chloro-1-[(5S)-4,5-dimethyl-5-pentan-2-ylcyclopenten-1-yl]benzimidazole?
The canonical SMILES for 2-chloro-1-[(5S)-4,5-dimethyl-5-pentan-2-ylcyclopenten-1-yl]benzimidazole is CCCC(C)[C@]1(C)C(n2c(Cl)nc3ccccc32)=CCC1C.
What is the InChIKey of 2-chloro-1-[(5S)-4,5-dimethyl-5-pentan-2-ylcyclopenten-1-yl]benzimidazole?
The InChIKey is RJRQHICUJOJQBQ-MHVYXZCWSA-N. The full InChI is InChI=1S/C19H25ClN2/c1-5-8-13(2)19(4)14(3)11-12-17(19)22-16-10-7-6-9-15(16)21-18(22)20/h6-7,9-10,12-14H,5,8,11H2,1-4H3/t13?,14?,19-/m0/s1.
What are the key properties of 2-chloro-1-[(5S)-4,5-dimethyl-5-pentan-2-ylcyclopenten-1-yl]benzimidazole?
2-chloro-1-[(5S)-4,5-dimethyl-5-pentan-2-ylcyclopenten-1-yl]benzimidazole has a molecular weight of 316.88 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(5S)-4,5-dimethyl-5-pentan-2-ylcyclopenten-1-yl]benzimidazole is sourced from PubChem (CID 70918322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).